C48H54N7O8P adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl N, n-bis (1-methylethyl) phosphor amidite] (aci)

Habari ya kimsingi:

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Maelezo ya bidhaa

Vitambulisho vya bidhaa

Maelezo ya dutu

Nambari ya Usajili wa CAS

110782-31-5

H335, H331, H319, H315, H311, H301+H311+H331, H301

Sifa muhimu za mwili	Thamani	Hali
Uzito wa Masi	887.96	-
PKA (alitabiri)	7.87 ± 0.43	Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical

N#cccop (oc1c (oc (n2c = nc = 3c (= nc = nc32) nc (= o) c = 4c = cc = cc4) c1oc) coc (c = 5c = cc = cc5) (c6 = cc = c (oc) c = c6) c7 = cc = c (c = c = c = c = c)

Tabasamu za Isomeric

C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OC) [C @@ H] (O1) N2C = 3C (n = C2) = C (NC (= O) C4 = CC = CC = C4) N = C23) (C53) (C53) (C53) (C53) (C53) C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

Inchi

Inchi = 1S/C48H54N7O8P/C1-32 (2) 55 (33 (3) 4) 64 (61-28-14-27-49) 63-42-40 (62-47 (43 (42) 59-7) 54-31-52-41-44 (50-30) 6) 34-15-10-8-11-16-34) 29-60-48 (35-17-12-9-13-18-35,36-19-23-38 (57-5) 24-20-36) 37-21-25-39 (58-6) 26-22-37/h8,15-25-25-25,3,15,15,15,15,15,15,15,15 2-43,47h, 14,28-29H2,1-7H3, (H, 50,51,53,56)/T40-, 42-, 43-, 47-, 64?/M1/S1

Ufunguo wa Inchi

Azcgotuyepxhmj-psvhyzmasa-n

Majina mengine 2 kwa dutu hii

Adenosine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′--O-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci); 5 ′ -O-(4,4 ′ -dimethoxytrityl) -n6-benzoyl-2 ′-O-Methyladenosine 3 ′ -(2 -cyanoethylN,N-diisopropylphosphoramidite)

Majaribio ya majaribio

Spectra inapatikana
13 C NMR
Hetero nmr
Misa

Mali zilizotabiriwa

Mali inapatikana
Kibaolojia
Kemikali
Lipinski
Muundo unaohusiana

Kibaolojia

Mali	Thamani	Hali	Chanzo
Sababu ya bioconcentration	4050	pH 1; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.08 x 105	pH 2; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 3; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 4; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 5; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 6; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 7; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 8; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	2.10 x 105	pH 9; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	60800	pH 10; Temp: 25 ° c	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
KOC	1830	pH 1; Temp: 25 ° c	(1) ACD
KOC	48700	pH 2; Temp: 25 ° c	(1) ACD
KOC	4.91 x 105	pH 3; Temp: 25 ° c	(1) ACD
KOC	1.52 x 106	pH 4; Temp: 25 ° c	(1) ACD
KOC	1.90 x 106	pH 5; Temp: 25 ° c	(1) ACD
KOC	1.91 x 106	pH 6; Temp: 25 ° c	(1) ACD
KOC	1.57 x 106	pH 7; Temp: 25 ° c	(1) ACD

Mali	Thamani	Hali	Chanzo
KOC	5.78 x 105	pH 8; Temp: 25 ° c	(1) ACD
KOC	95000	pH 9; Temp: 25 ° c	(1) ACD
KOC	27500	pH 10; Temp: 25 ° c	(1) ACD
logi	6.01	pH 1; Temp: 25 ° c	(1) ACD
logi	7.43	pH 2; Temp: 25 ° c	(1) ACD
logi	8.44	pH 3; Temp: 25 ° c	(1) ACD
logi	8.93	pH 4; Temp: 25 ° c	(1) ACD
logi	9.02	pH 5; Temp: 25 ° c	(1) ACD
logi	9.02	pH 6; Temp: 25 ° c	(1) ACD
logi	8.94	pH 7; Temp: 25 ° c	(1) ACD
logi	8.51	pH 8; Temp: 25 ° c	(1) ACD
logi	7.72	pH 9; Temp: 25 ° c	(1) ACD
logi	7.18	pH 10; Temp: 25 ° c	(1) ACD
Logp	9.038 ± 0.723	Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani	1.4 x 10-5 g/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.014 g/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	5.3 x 10-4 g/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	5.3 x 10-5 g/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	1.7 x 10-5 g/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	1.3 x 10-5 g/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	1.3 x 10-5 g/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	1.7 x 10-5 g/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.5 x 10-5 g/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	2.8 x 10-4 g/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	9.8 x 10-4 g/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	1.7 x 10-5 g/l	Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani wa molar	1.6 x 10-8 mol/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.6 x 10-5 mol/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	6.0 x 10-7 mol/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	6.0 x 10-8 mol/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.9 x 10-8 mol/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.5 x 10-8 mol/l	pH 5; Temp: 25 ° c	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa molar	1.5 x 10-8 mol/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.9 x 10-8 mol/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	5.1 x 10-8 mol/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	3.1 x 10-7 mol/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.1 x 10-6 mol/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.9 x 10-8 mol/l	Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c	(1) ACD
Uzito wa Masi	887.96
PKA	7.87 ± 0.43	Templeti nyingi za asidi: 25 ° C.	(1) ACD
PKA	3.45 ± 0.70	Muda wa msingi zaidi: 25 ° C.	(1) ACD

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vya mzunguko wa bure	19		(1) ACD
Wapokeaji	15		(1) ACD
H wafadhili	1		(1) ACD
H wafadhili/jumla ya jumla	16		(1) ACD
Logp	9.038 ± 0.723	Temp: 25 ° c	(1) ACD
Uzito wa Masi	887.96

Muundo unaohusiana

Mali	Thamani	Chanzo cha hali
Eneo la uso wa polar	178 A2	(1) ACD

Utabiri uliotabiriwa

Spectra inapatikana
1 H NMR
13 C NMR

Taarifa za hatari za GHS

Nambari	Taarifa ya hatari	Chanzo
H335	Inaweza kusababisha kuwasha kwa kupumua	Mtaalam aliyechafuliwa

Nambari	Taarifa ya hatari	Chanzo
H331	Sumu ikiwa inavuta pumzi	Mtaalam aliyechafuliwa
H319	Husababisha kuwasha kwa jicho kubwa	Mtaalam aliyechafuliwa
H315	Husababisha kuwasha ngozi	Mtaalam aliyechafuliwa
H311	Sumu katika kuwasiliana na ngozi	Mtaalam aliyechafuliwa
H301+H311+H331	Sumu ikiwa imemezwa, katika kuwasiliana na ngozi au ya kuvuta pumzi	Mtaalam aliyechafuliwa
H301	Sumu ikiwa imemezwa	Mtaalam aliyechafuliwa