C21h2n3n3n3o6 thymidine, α - [((1-naphthalylmethyl) amino] - α -oxo- (aci)
Lub Neej Npe Ntawv Sau Npe
1262015-90-6
Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
Molecular hnyav | 411.41 | - |
Ntom ntom (kwv yees) | 1.460 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
PKA (kwv yees) | 8.23 ± 0.10 | Feem ntau acidic temp: 25 ° C |
Canonical luag nyav
O = c1nc (= O) N (C = NCC2 = cc = CC = 3C = CC = CC32) CC32) CC32) CC32) CC32) CC = CC = CC32) CC32) CCE) C4
Isomeric luag
O = c1n (c = c (NCC = 2c3 = c (cc = cc = cc = cc = c3) [c3) [c)
Tus hauv onei
Inchi = 1s / c21h2n3n3o6 / c25-11-17-16 (30) 8,-5-13-4-14 (12) 13 / h1- 7,10,16-18,25-26h, 8-9,27) (H, 22,28,29) / T16-, 17 +, 18 + / M0 / S1
Inchi tus yuam sij
Uudhoszawihghtb-rccfbdprsa-n
3 lwm lub npe rau cov khoom siv no
α - [((1-naphthalylmethyl) amino] - α -Oxothothymidine (ACI); (Natdu); 87: PN: Wo2020081510 SEQID: 87 lees tias muaj qib
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 | 3.23 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 3.23 | PHA 2; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 3.23 | PH 3; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 3.23 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 3.23 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 3.19 | p.c; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 2.85 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.40 | 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 80.5 PH 1; TEMP: 25 ° C (1) ACD |
KOC 80.5 PH 5; TEMP: 25 ° C (1) ACD |
KOC 80.5 PH 3; TEMP: 25 ° C (1) ACD |
KOC 80.5 PH 4; TEMP: 25 ° C (1) ACD |
KOC 80.4 PH 5; TEMP: 25 ° C (1) ACD |
KOC 79.5 PH 6; TEMP: 25 ° C (1) ACD |
KOC 71.1 pH 7; TEMP: 25 ° C (1) ACD |
KOC 34.9 PH 8; TEMP: 25 ° C (1) ACD |
KOC 6.35 PH 9; TEMP: 25 ° C (1) ACD |
KOC 1.39 PH 10; TEMP: 25 ° C (1) ACD |
Logd 0.97 PH 1; TEMP: 25 ° C (1) ACD |
Logd 0.97 ph 2; TEMP: 25 ° C (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
logd | 0.97 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 0.97 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 0.97 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 0.97 | p.c; Temp: 25 ° C | (1) ACD |
logd | 0.92 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 0.61 | PH 8; Temp: 25 ° C | (1) ACD |
logd | -0.13 | PH 9; Temp: 25 ° C | (1) ACD |
logd | -0.79 | pH 10; Temp: 25 ° C | (1) ACD |
lub cim | 0.973 ± 0.586 | Temp: 25 ° C | (1) ACD |
Kev ua yeeb yam loj solubility solubility | 5.3 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
Loj solubility | 5.3 x 10-3 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.3 x 10-3 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.3 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.3 x 10-3 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.3 x 10-3 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.3 x 10-3 g / l | p.c; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-3 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.012 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.066 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.30 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.3 x 10-3 g / l | Unbuffered dej pH 6.37; Temp: 25 ° C | (1) ACD |
Molar intrinsic solubility | 1.3 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
Raug solubility | 1.3 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.3 x 10-5 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.3 x 10-5 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.3 x 10-5 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.3 x 10-5 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.3 x 10-5 mol / l | p.c; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.4 x 10-5 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.9 x 10-5 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.6 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Raug solubility | 7.4 x 10-4 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Raug solubility | 1.3 x 10-5 mol / l | Unbuffered dej pH 6.37; Temp: 25 ° C | (1) ACD |
Molecular hnyav | 411.41 | ||
pa kua muag | 8.23 ± 0.10 | Feem ntau acidic temp: 25 ° C | (1) ACD |
pa kua muag | -1.90 ± 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 | 1.460 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
Cov pob zeb ntim | 281.6 ± 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 | 0.973 ± 0.586 | Temp: 25 ° C | (1) ACD |
Molecular hnyav | 411.41 |
(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