C41h43n3o9 cytidine, n-benzoyl-5'-o- "me- metoxyphyl)-aws-utter-(9ci, aci) H335, H315
Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
Molecular hnyav | 721.80 | - |
Melting taw tes (sim) | 107-110 ° C | - |
Ntom ntom (kwv yees) | 1.26 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
PKA (kwv yees) | 8.60 ± 0.40 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c1n = c (NC () cc = cc = cc = cc = cc = cc = cc = cc = c) c3) c (o) c3occoc) c
Isomeric luag
C (OC [C @O H] 1O [C @ H] (CC = C3) (CP) CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC =
Tus hauv onei
Inchi = 1s / C41H43N3N3N3O9 / C1-25-44 (40 (46) 35 (55) 359) 26-52-41 (29-13 (29-13
-9-6-10-10-10-29,30-15-19-332-33-335,4,47) / T34-, 39-6-, 39- /4 / s1
Inchi tus yuam sij
Byscluaikfefah-lzurgkrnsa-n
23 Lwm lub npe rau cov khoom no
N-benzoyl-5'-o- [me (4-methoxyphenyl) phenylmethyl] -2'-o-(2-methoxtidine (ACI); 10: Pn: Wo03084478 Nplooj ntawv: 57 thov RNA; 12: PN: US200S30170636 Page: 17 Thov Ra; 13: PN: US20030212017 Nplooj: 19 Thov R NA; 14: PN: US20030
211606 Nplooj ntawv: 19: thov R NA; 15: PN: US20040005569 Nplooj ntawv: 22 thov txais r na; 16: PN: US20040006030 Nplooj ntawv: 22 thov txais r na; 16: PN: US20040040040014048 Nplooj: 20 thov thov RA; 17: PN: US200S30171313 Nplooj Ntawv: 9 lees tias RA; 17: PN: US20040005565 Nplooj: 17- 22 thov RNA; 17: PN: US20040005570 Nplooj Ntawv: 20 thov R NA; 17: PN: US20040040040014044 Nplooj: 20 thov thov RA; 17: PN: US20040 014050 Nplooj: 20 thov R NA; 18: PN: US200S30198965 Nplooj: 19 Rev RA; 18: PN: USE $ US20040014699 Nplooj Ntawv: 20 thov txais r na; 19: PN: US20040006029 Nplooj ntawv: 23 lees tias R na; 19: PN: Wo03106645 Nplooj: 71 thov RA; 59: PN: US200S3016666592 Nplooj ntawv: 15 Txais RNA; 6: PN: Wo2005006958 Nplooj ntawv: 62 lav R NA; 83: PN: US20040171566 Page: 18 Thov RA; 8: PN: Wo2005007825
Nplooj ntawv: 62 lav R NA; 90: PN: US20040005707 Nplooj ntawv: 20 lav R NA; N4-benzoyl-2'-o-methoxyethyl-5'-o-dimethoxytrityl-5-
Metylytidine
Cov khoom muaj |
Thermal |
Thermal
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Melting point | 107-110 ° C | (1) CAS |
(1) Penjarla, Srichylam; Nucleosides, nucleotides & nucleic acids, (2018), 37 (4), 232-247, CAPPUS
Spectra muaj
1h nmr
13C NMR
Cov khoom muaj |
Kev muaj txuj Ci |
Tshuaj |
Ceev |
Ncauj lus di ncauj |
Cov qauv muaj feem xyuam |
Kev muaj txuj Ci
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Bioconclivration qhov tseem ceeb | 291 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 644 | PHA 2; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 3690 | PH 3; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 15600 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 23700 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 24800 | p.c; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Bioconclivration qhov tseem ceeb | 23300 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1400 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 3010 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 558 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Tshuaj
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Txhim hoom | 569 | PH 1; Temp: 25 ° C | (1) ACD |
Txhim hoom | 1260 | PHA 2; Temp: 25 ° C | (1) ACD |
Txhim hoom | 7210 | PH 3; Temp: 25 ° C | (1) ACD |
Txhim hoom | 00 | PH 4; Temp: 25 ° C | (1) ACD |
Txhim hoom | 46300 | PH 5; Temp: 25 ° C | (1) ACD |
Txhim hoom | 48500 | p.c; Temp: 25 ° C | (1) ACD |
Txhim hoom | 00 | pH 7; Temp: 25 ° C | (1) ACD |
Txhim hoom | 27500 | PH 8; Temp: 25 ° C | (1) ACD |
Txhim hoom | 5890 | PH 9; Temp: 25 ° C | (1) ACD |
Txhim hoom | 1090 | pH 10; Temp: 25 ° C | (1) ACD |
logd | 4.16 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 4.50 | PHA 2; Temp: 25 ° C | (1) ACD |
logd | 5.26 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 5.88 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 6.07 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 6.09 | p.c; Temp: 25 ° C | (1) ACD |
logd | 6.06 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 5.84 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 5.17 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 4.44 | pH 10; Temp: 25 ° C | (1) ACD |
lub cim | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
Kev ua yeeb yam loj solubility solubility | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Loj solubility | 0.011 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.0 x 10-3 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
Loj solubility | 8.7 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Loj solubility | 2.1 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Loj solubility | 1.4 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.3 x 10-4 g / l | p.c; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.4 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Loj solubility | 2.3 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.1 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.4 x 10-4 g / l | Unbuffered dej p 3.97; Temp: 25 ° C | (1) ACD |
Molar intrinsic solubility | 1.8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Raug solubility | 1.5 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Raug solubility | 6.9 x 10-6 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.2 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.9 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.9 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.8 x 10-7 mol / l | p.c; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.9 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.2 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.5 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Raug solubility | 8.0 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.9 x 10-7 mol / l | Unbuffered dej p 3.97; Temp: 25 ° C | (1) ACD |
Molecular hnyav | 721.80 | ||
pa kua muag | 8.60 ± 0.40 | Feem ntau acidic temp: 25 ° C | (1) ACD |
pa kua muag | 3.87 ± 0.20 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ceev
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Ceev | 1.26 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
Cov pob zeb ntim | 572.5 ± 7.0 CM3 / Mol | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ncauj lus di ncauj
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Dawb doatable bonds | 15 | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
H neeg txais | 12 | (1) ACD | |
H pub dawb | 2 | (1) ACD | |
H pub dawb / txais nyiaj | 14 | (1) ACD | |
lub cim | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
Molecular hnyav | 721.80 |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Cov qauv muaj feem xyuam
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Polar Thaj Chaw Thaj Chaw | 137 A2 | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Spectra muaj
1h nmr
13C NMR
Txoj cai | Cov lus sib haum | Lub hauv paus |
H335 | Tej zaum yuav ua pa ua pa | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |
H319 | Ua rau muaj kev txob txob loj muag | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |
H315 | Ua kom tawv nqaij voos | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |