C17h19N3O6 thymidine, α -oxo- α - [(penylmethyl) amino] - (ACI)
Lub Neej Npe Ntawv Sau Npe
944268-75-1
Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
Molecular hnyav | 361.35 | - |
Ntom ntom (kwv yees) | 1.459 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
PKA (kwv yees) | 8.27 ± 0.10 | Feem ntau acidic temp: 25 ° C |
Canonical luag nyav
O = c1nc (= o) n (c = c1c (= o) NCC = 2c = cc = cc = cc2) c3 c3
Isomeric luag
O = c1n ([c @@ h] 2o [b @ h] (CC) CC = CC = CC = CC = C3) = O) N1
Tus hauv onei
Inchi = 1s / C17h19N3O6 / C21-9-13 (22) 10 (20) 18 (20) H2, (H, 18,23) (H, 19,24,25) / t12-, 13 +, 14 + / m0 / s1
Inchi tus yuam sij
VbryagcueXfmkm-bfhexjousa-n
3 lwm lub npe rau cov khoom siv no
A -OXO-α - [(phenymethyl) amino] thymidine (aci); (Bndu); 7: PN: Wo2020081510 SEQID: 7 thov ua ntu zus
Cov khoom muaj
Kev muaj txuj Ci
Tshuaj
Ceev
Ncauj lus di ncauj
Cov qauv muaj feem xyuam
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Bioconclivration qhov tseem ceeb | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PHA 2; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | p.c; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | 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)
Cov Khoom Vaj Tsev Tus Nqi |
KOC 18.3 PH 1; TEMP: 25 ° C (1) ACD |
KOC 18.3 PHO 2; TEMP: 25 ° C (1) ACD |
KOC 18.3 PHO 3; TEMP: 25 ° C (1) ACD |
KOC 18.3 PH 4; TEMP: 25 ° C (1) ACD |
KOC 18.3 PHO 5; TEMP: 25 ° C (1) ACD |
KOC 18,.1 pH 6; TEMP: 25 ° C (1) ACD |
KOC 16.4 PH 7; TEMP: 25 ° C (1) ACD |
KOC 8.56 PH 8; TEMP: 25 ° C (1) ACD |
KOC 1.62 PH 9; TEMP: 25 ° C (1) ACD |
KOC 1.0 PH 10; TEMP: 25 ° C (1) ACD |
Logd -0.21 PH 1; TEMP: 25 ° C (1) ACD |
Logd -0.21 PH 2; TEMP: 25 ° C (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
logd | -0.21 | PH 3; Temp: 25 ° C | (1) ACD |
logd | -0.21 | PH 4; Temp: 25 ° C | (1) ACD |
logd | -0.21 | PH 5; Temp: 25 ° C | (1) ACD |
logd | -0.22 | p.c; Temp: 25 ° C | (1) ACD |
logd | -0.26 | pH 7; Temp: 25 ° C | (1) ACD |
logd | -0.54 | PH 8; Temp: 25 ° C | (1) ACD |
logd | -1.26 | PH 9; Temp: 25 ° C | (1) ACD |
logd | -1.95 | pH 10; Temp: 25 ° C | (1) ACD |
lub cim | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
Kev ua yeeb yam loj solubility solubility | 0.13 g / l | Temp: 25 ° C | (1) ACD |
Loj solubility | 0.13 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.13 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.13 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.13 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.13 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.14 g / l | p.c; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.15 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.29 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Loj solubility | 7.2 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.14 g / l | Unbuffered DEJ PH 5.68; Temp: 25 ° C | (1) ACD |
Molar intrinsic solubility | 3.7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
Raug solubility | 3.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.7 x 10-4 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.7 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.7 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.7 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.8 x 10-4 mol / l | p.c; Temp: 25 ° C | (1) ACD |
Raug solubility | 4.2 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Raug solubility | 8.0 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Raug solubility | 4.2 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Raug solubility | 0.020 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Raug solubility | 3.8 x 10-4 mol / l | Unbuffered DEJ PH 5.68; Temp: 25 ° C | (1) ACD |
Molecular hnyav | 361.35 | ||
pa kua muag | 8.27 ± 0.10 | Feem ntau acidic temp: 25 ° C | (1) ACD |
pa kua muag | -1.66 ± 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)
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Ceev | 1.459 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
Cov pob zeb ntim | 247.5 ± 3.0 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)
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Dawb doatable bonds | 7 | (1) ACD | |
H neeg txais | 9 | (1) ACD | |
H pub dawb | 4 | (1) ACD | |
H pub dawb / txais nyiaj | 13 | (1) ACD | |
lub cim | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
Molecular hnyav | 361.35 |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ntiag tug | Tus nqi | Mob Mob |
Polar Thaj Chaw Thaj Chaw | 128 A2 | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Spectra muaj
1 h nmr
13 c nmr