C34h39n3o8 cytidine, 5'-o- (4-methoxyphenyl) phenylothyl)-ethox yethyl) -5-methyl)-(9ci, aci)
| Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
| Molecular hnyav | 617.69 | - |
| Boiling taw tes (kwv yees) | 762.6 ± 70.0 ° C | XOVXWM: 760 Torr |
| Ntom ntom (kwv yees) | 1.27 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
| PKA (kwv yees) | 13.31 ± 0.70 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c1n = c (n) cc = cc = cc = cc = cc = c.c) c (o) c2) c
Isomeric smiles c (OC [B @O H] 1o [H] ((C3) (C3) (CC) C5 = CC = C5
Tus hauv onei
Inchi = 14h39n3o8 / c1-22-20-31 (225-33 (22-5 (23-8 )-34-9-23,24-10-14-26 (4 1-3) 15-11-24) 25-12-16-27 (42-4-13-25, 18-135,36,39-, 30-, 30-, 30-, 4 / hli
Inchi tus yuam sij
Lyktvjjxzqtnpk-pbamlimusa-n
24 lwm lub npe rau cov khoom siv no
5 '-O- [BIS (4-methoxyphenyl) penylmethyl] -2'-o-(2-methoxyethyl) -5-methycytidine (ACI); 11: PN: US200S30170636 Page: 17 Thov RNA; 12: PN: US20030211606 Nplooj ntawv: 18 thov nyiaj RA; 12: PN: US200S30212017 Nplooj ntawv: 19 Thov RA; 14: PN: US20040005569 PAG E: 21 thov R NA; 15: PN: US20040005565 Nplooj Ntawv: 17- 22 thov RNA; 15: PN: US20040005570 Nplooj: 19 Xyoo Tshiab RA; 15: PN: U S20040006030 Nplooj ntawv: 22 thov txais r na; 15: PN: US20040040040014048 Nplooj: 19 Xyoo RA; 16: PN: US200S30171313 Nplooj Ntawv: 9 thov RNA; 16: PN: US200S30198965 Nplooj Ntawv: 19 Rev RA; 16: PN: US20040040040014044 Nplooj: 19 Thov R NA; 16: PN: US2004004001409 Nplooj ntawv:
19 thov RNA; 17: PN: US20040040014051 Nplooj ntawv: 21 Thov R na; 17: PN: US2004004001499 Nplooj: 19 Xyoo RA; 17: PN: W
O03106645 Page: 69 lees tias R na; 18: PN: US20040006029 Nplooj ntawv: 22 thov txais r na; 2'-o-met-methoxyethyl-5'-o-dimethoxytrityl-5- Metylencytidine; 58: PN: US200S3016666592 nplooj ntawv: 15 thov nyiaj RA; 5: PN: Wo2005005006958 Nplooj ntawv: 61 lav R Na; 7: PN: Wo20050 0785 Nplooj: 61 lav R Na; 82: PN: US20040171566 Page: 18 Thov RA; 89: PN: US20040005707 Nplooj ntawv: 19 Thov RA; 9: PN: WO03084478 Nplooj ntawv: 56 lees tias R na
| Cov khoom muaj |
| Kev muaj txuj Ci |
| Tshuaj |
| Ceev |
| Ncauj lus di ncauj |
| Cov qauv muaj feem xyuam |
| Thermal |
Kev muaj txuj Ci
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Bioconclivration qhov tseem ceeb | 1.56 | PH 1; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.99 | PHA 2; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 6.19 | PH 3; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 38.0 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 116 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 146 | p.c; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 150 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 151 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 151 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 151 | 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 | 13.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 16.6 | PHA 2; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 51.8 | PH 3; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 318 | PH 4; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 966 | PH 5; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1220 | p.c; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1260 | pH 7; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Txhim hoom | 1260 | PH 8; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1260 | PH 9; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1260 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 1.18 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 1.29 | PHA 2; Temp: 25 ° C | (1) ACD |
| logd | 1.78 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 2.57 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 3.05 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 3.16 | p.c; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | pH 10; Temp: 25 ° C | (1) ACD |
| lub cim | 3.169 ± 0.598 | Temp: 25 ° C | (1) ACD |
| Kev ua yeeb yam loj solubility solubility | 5.2 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.51 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.40 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.13 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.020 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Loj solubility | 6.8 x 10-3 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.4 x 10-3 g / l | p.c; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.3 x 10-3 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.2 x 10-3 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.2 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.2 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.3 x 10-3 g / l | Unbuffered DEJ PH 7.05; Temp: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 8.4 X 10-6 mol / l | Temp: 25 ° C | (1) ACD |
| Raug solubility | 8.2 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Raug solubility | 6.4 x 10-4 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.1 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Raug solubility | 3.3 x 10-5 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.1 x 10-5 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Raug solubility | 8.7 x 10-6 mol / l | p.c; Temp: 25 ° C | (1) ACD |
| Raug solubility | 8.5 x 10-6 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Raug solubility | 8.4 X 10-6 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Raug solubility | 8.4 X 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Raug solubility | 8.4 X 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Raug solubility | 8.5 x 10-6 mol / l | Unbuffered DEJ PH 7.05; Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 617.69 | ||
| pa kua muag | 13.31 ± 0.70 | Feem ntau acidic temp: 25 ° C | (1) ACD |
| pa kua muag | 4.58 ± 0.10 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
| Vapor siab | 1.89 x 10-24 torr | Temp: 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 | 1.27 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
| Cov pob zeb ntim | 483.8 ± 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 | 14 | (1) ACD | |
| H neeg txais | 11 | (1) ACD | |
| H pub dawb | 3 | (1) ACD | |
| H pub dawb / txais nyiaj | 14 | (1) ACD | |
| lub cim | 3.169 ± 0.598 | Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 617.69 |
(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 | 134 A2 | (1) ACD | |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Thermal
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Kub taw tes | 762.6 ± 70.0 ° C | XOVXWM: 760 Torr | (1) ACD |
| Enthalpy ntawm vaporization | 116.53 ± 3.0 KJ / MOL | XOVXWM: 760 Torr | (1) ACD |
| Flash point | 415.0 ± 35.7 ° C | (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
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