C17H19N3O6 Thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI)

Habari ya kimsingi:

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Maelezo ya bidhaa

Vitambulisho vya bidhaa

Maelezo ya dutu

Nambari ya Usajili wa CAS

944268-75-1

Sifa muhimu za mwili	Thamani	Hali
Uzito wa Masi	361.35	-
Uzani (uliotabiriwa)	1.459 ± 0.06 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri)	8.27 ± 0.10	Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical

O = C1NC (= O) N (C = C1c (= O) NCC = 2C = CC = CC2) C3OC (CO) C (O) C3

Tabasamu za Isomeric

O = c1n ([c @@ h] 2o [c@h] (co) [c @@ h] (o) c2) c = c (c (ncc3 = cc = cc = c3) = o) c (= o) n1

Inchi

Inchi = 1S/C17H19N3O6/C21-9-13-12 (22) 6-14 (26-13) 20-8-11 (16 (24) 19-17 (20) 25) 15 (23) 18-7-10-4-2-1-3-5-10/H1-5,8,12-14,21-7, 6 H2, (h, 18,23) (h, 19,24,25)/t12-, 13+, 14+/m0/s1

Ufunguo wa Inchi

Vbryagcuexfmkm-bfhyxjousa-n

Majina mengine 3 kwa dutu hii

α -oxo -α -[(phenylmethyl) amino] thymidine (ACI); (BNDU); 7: PN: WO2020081510 SEQID: 7 walidai mlolongo

Mali inapatikana
Kibaolojia
Kemikali
Wiani
Lipinski
Muundo unaohusiana

Kibaolojia

Mali	Thamani	Hali	Chanzo
Sababu ya bioconcentration	1.0	pH 1; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 2; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 3; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 4; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 5; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 6; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 7; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 8; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 9; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 10; Temp: 25 ° c	(1) ACD

Kemikali

Chanzo cha hali ya thamani ya mali

KOC 18.3 pH 1; Temp: 25 ° C (1) ACD

KOC 18.3 pH 2; Temp: 25 ° C (1) ACD

KOC 18.3 pH 3; Temp: 25 ° C (1) ACD

KOC 18.3 pH 4; Temp: 25 ° C (1) ACD

KOC 18.3 pH 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

Mali	Thamani	Hali	Chanzo
logi	-0.21	pH 3; Temp: 25 ° c	(1) ACD
logi	-0.21	pH 4; Temp: 25 ° c	(1) ACD
logi	-0.21	pH 5; Temp: 25 ° c	(1) ACD
logi	-0.22	pH 6; Temp: 25 ° c	(1) ACD
logi	-0.26	pH 7; Temp: 25 ° c	(1) ACD
logi	-0.54	pH 8; Temp: 25 ° c	(1) ACD
logi	-1.26	pH 9; Temp: 25 ° c	(1) ACD
logi	-1.95	pH 10; Temp: 25 ° c	(1) ACD
Logp	-0.212 ± 0.585	Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani	0.13 g/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.13 g/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.13 g/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.13 g/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.13 g/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.13 g/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.14 g/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.15 g/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.29 g/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	1.5 g/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	7.2 g/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.14 g/l	Maji yasiyokuwa na maji pH 5.68; Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani wa molar	3.7 x 10-4 mol/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	3.7 x 10-4 mol/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	3.7 x 10-4 mol/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	3.7 x 10-4 mol/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	3.7 x 10-4 mol/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	3.7 x 10-4 mol/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	3.8 x 10-4 mol/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	4.2 x 10-4 mol/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	8.0 x 10-4 mol/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	4.2 x 10-3 mol/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	0.020 mol/L.	pH 10; Temp: 25 ° c	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa molar	3.8 x 10-4 mol/l	Maji yasiyokuwa na maji pH 5.68; Temp: 25 ° c	(1) ACD
Uzito wa Masi	361.35
PKA	8.27 ± 0.10	Templeti nyingi za asidi: 25 ° C.	(1) ACD
PKA	-1.66 ± 0.20	Muda wa msingi zaidi: 25 ° C.	(1) ACD

Wiani

Mali	Thamani	Hali	Chanzo
Wiani	1.459 ± 0.06 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr	(1) ACD
Kiasi cha molar	247.5 ± 3.0 cm3/mol	Temp: 20 ° C; Bonyeza: 760 Torr	(1) ACD

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vya mzunguko wa bure	7		(1) ACD
Wapokeaji	9		(1) ACD
H wafadhili	4		(1) ACD
H wafadhili/jumla ya jumla	13		(1) ACD
Logp	-0.212 ± 0.585	Temp: 25 ° c	(1) ACD
Uzito wa Masi	361.35