C21H21N3O6 Thymidine, α- [(1-naphthalmelmethyl) amino]- α -oxo- (ACI)

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Maelezo ya bidhaa

Vitambulisho vya bidhaa

Maelezo ya dutu

Nambari ya Usajili wa CAS

1262015-90-6

Sifa muhimu za mwili	Thamani	Hali
Uzito wa Masi	411.41	-
Uzani (uliotabiriwa)	1.460 ± 0.06 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri)	8.23 ± 0.10	Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical

O = C1NC (= O) N (C = C1c (= O) NCC2 = CC = CC = 3C = CC = CC32) C4OC (CO) C (O) C4

Tabasamu za Isomeric

O = C1N (C = C (C (NCC = 2C3 = C (C = CC2) C = CC = C3) = O) C (= O) N1) [C @@ H] 4O [C@H] (CO) [C @@ H] (O) C4

Inchi

Inchi = 1S/C21H21N3O6/C25-11-17-16 (26) 8-18 (30-17) 24-10-15 (20 (28) 23-21 (24) 29) 19 (27) 22-9-13-6-5-12-4-1-2-7-14 (12) 13/H1- 7,10,16-18,25-26h, 8-9,11h2, (h, 22,27) (h, 23,28,29)/t16-, 17+, 18+/m0/s1

Ufunguo wa Inchi

Uudhoszawihgtb-rccfbdprsa-n

Majina mengine 3 kwa dutu hii

α -[(1 -naphthalenylmethyl) amino] -α -oxymidine (ACI); (NAPDU); 87: PN: WO2020081510 SEQID: 87 ilidai mlolongo

Mali inapatikana
Kibaolojia
Kemikali
Wiani
Lipinski
Muundo unaohusiana

Kibaolojia

Mali	Thamani	Hali	Chanzo
Sababu ya bioconcentration	3.23	pH 1; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	3.23	pH 2; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	3.23	pH 3; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	3.23	pH 4; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	3.23	pH 5; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	3.19	pH 6; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	2.85	pH 7; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.40	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 80.5 pH 1; Temp: 25 ° C (1) ACD

KOC 80.5 pH 2; 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

Mali	Thamani	Hali	Chanzo
logi	0.97	pH 3; Temp: 25 ° c	(1) ACD
logi	0.97	pH 4; Temp: 25 ° c	(1) ACD
logi	0.97	pH 5; Temp: 25 ° c	(1) ACD
logi	0.97	pH 6; Temp: 25 ° c	(1) ACD
logi	0.92	pH 7; Temp: 25 ° c	(1) ACD
logi	0.61	pH 8; Temp: 25 ° c	(1) ACD
logi	-0.13	pH 9; Temp: 25 ° c	(1) ACD
logi	-0.79	pH 10; Temp: 25 ° c	(1) ACD
Logp	0.973 ± 0.586	Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani	5.3 x 10-3 g/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	5.3 x 10-3 g/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	5.3 x 10-3 g/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	5.3 x 10-3 g/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	5.3 x 10-3 g/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	5.3 x 10-3 g/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	5.3 x 10-3 g/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	5.8 x 10-3 g/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.012 g/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.066 g/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.30 g/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	5.3 x 10-3 g/l	Maji yasiyokuwa na maji pH 6.37; Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani wa molar	1.3 x 10-5 mol/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.3 x 10-5 mol/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.3 x 10-5 mol/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.3 x 10-5 mol/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.3 x 10-5 mol/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.3 x 10-5 mol/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.3 x 10-5 mol/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.4 x 10-5 mol/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.9 x 10-5 mol/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.6 x 10-4 mol/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.4 x 10-4 mol/l	pH 10; Temp: 25 ° c	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa molar	1.3 x 10-5 mol/l	Maji yasiyokuwa na maji pH 6.37; Temp: 25 ° c	(1) ACD
Uzito wa Masi	411.41
PKA	8.23 ± 0.10	Templeti nyingi za asidi: 25 ° C.	(1) ACD
PKA	-1.90 ± 0.20	Muda wa msingi zaidi: 25 ° C.	(1) ACD

Wiani

Mali	Thamani	Hali	Chanzo
Wiani	1.460 ± 0.06 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr	(1) ACD
Kiasi cha molar	281.6 ± 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	0.973 ± 0.586	Temp: 25 ° c	(1) ACD
Uzito wa Masi	411.41