C53H66N7O8PSi NO. CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ - O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ - [2-cyanoethyl N,N-bis(1- methylethyl)phosphoramidite] (ACI)

Taarifa za Msingi:

Tutumie barua pepe

Maelezo ya Bidhaa

Lebo za Bidhaa

Maelezo ya Dawa

Nambari ya Usajili ya CAS

104992-55-4

Sifa Muhimu za Kimwili	Thamani	Hali
Uzito wa Masi	988.19	-
pKa (Iliyotabiriwa)	7.87±0.43	Halijoto ya Asidi Zaidi: 25 °C

Majina Mengine na Vitambulisho

TABASAMU za Kikanuni

N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C )COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= CC=C(OC)C=C7)N(C(C)C)C(C)C

Isomeric TABASAMU

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](O[Si](C) (C)(C)C)(C)C)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4) N=CN3) (C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7

InChI

InChI= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-) 13-17-22-39,40-23-27-42(62-8)28-24-40 )41-25-29-43(63-9)30-26-41)66-51(47( 46)68-70(10,11)52(5,6)7)59-35-57-45-48(55-34-56-49(45)59)58-50(61)38-19- 14-12-15-20-38/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58, 61)/t44-,46-,47-,51-,69?/m1/s1

Ufunguo wa InChi

FFXHNCNNHASXCT-RFMFGJHUSA-N

1 Jina Lingine la Dawa hii

Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ - [2-cyanoethyl bis(1- methylethyl)phosphoramidite] (9CI)

Spectra ya Majaribio

Spectra inapatikana
Misa

Mali Zilizotabiriwa

Mali zinazopatikana
Kibiolojia
Kemikali
Lipinski
Kuhusiana na Muundo

Kibiolojia

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	5.50 x 105	pH 1;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 2;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 3;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 4;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 5;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 6;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 7;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 8;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 9;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 10;Joto: 25 °C	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
Koc	61500	pH 1;Joto: 25 °C	(1) ACD
Koc	1.64 x 106	pH 2;Joto: 25 °C	(1) ACD
Koc	1.00 x 107	pH 3;Joto: 25 °C	(1) ACD
Koc	1.00 x 107	pH 4;Joto: 25 °C	(1) ACD
Koc	1.00 x 107	pH 5;Joto: 25 °C	(1) ACD
Koc	1.00 x 107	pH 6;Joto: 25 °C	(1) ACD
Koc	1.00 x 107	pH 7;Joto: 25 °C	(1) ACD
Koc	1.00 x 107	pH 8;Joto: 25 °C	(1) ACD
Koc	3.20 x 106	pH 9;Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Koc	9.24 x 105	pH 10;Joto: 25 °C	(1) ACD
logD	8.81	pH 1;Joto: 25 °C	(1) ACD
logD	10.24	pH 2;Joto: 25 °C	(1) ACD
logD	11.24	pH 3;Joto: 25 °C	(1) ACD
logD	11.73	pH 4;Joto: 25 °C	(1) ACD
logD	11.83	pH 5;Joto: 25 °C	(1) ACD
logD	11.83	pH 6;Joto: 25 °C	(1) ACD
logD	11.75	pH 7;Joto: 25 °C	(1) ACD
logD	11.31	pH 8;Joto: 25 °C	(1) ACD
logD	10.53	pH 9;Joto: 25 °C	(1) ACD
logD	9.99	pH 10;Joto: 25 °C	(1) ACD
logP	11.845±0.715	Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Misa	1.2 x 10-5 g/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	3.5 x 10-3 g/L	pH 1;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.1 x 10-4 g/L	pH 2;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	9.9 x 10-6 g/L	pH 3;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	3.4 x 10-6 g/L	pH 4;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	2.7 x 10-6 g/L	pH 5;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	2.7 x 10-6 g/L	pH 6;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	3.2 x 10-6 g/L	pH 7;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	8.9 x 10-6 g/L	pH 8;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	6.3 x 10-5 g/L	pH 9;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.2 x 10-4 g/L	pH 10;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	3.2 x 10-6 g/L	Maji yasiyo na buffered pH 7.00;Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Molar	1.2 x 10-8 mol/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	3.5 x 10-6 mol/L	pH 1;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-7 mol/L	pH 2;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.0 x 10-8 mol/L	pH 3;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	3.4 x 10-9 mol/L	pH 4;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.7 x 10-9 mol/L	pH 5;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.7 x 10-9 mol/L	pH 6;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	3.2 x 10-9 mol/L	pH 7;Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa Molar	9.0 x 10-9 mol/L	pH 8;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	6.4 x 10-8 mol/L	pH 9;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	4.2 x 10-7 mol/L	pH 10;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	3.2 x 10-9 mol/L	Maji yasiyo na buffered pH 7.00;Joto: 25 °C	(1) ACD
Uzito wa Masi	988.19
pKa	7.87±0.43	Halijoto ya Asidi Zaidi: 25 °C	(1) ACD
pKa	3.45±0.70	Joto la Msingi Zaidi: 25 °C	(1) ACD

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vinavyoweza kuzungushwa kwa Uhuru	21		(1) ACD
H Wakubali	15		(1) ACD
H Wafadhili	1		(1) ACD
H Jumla ya Mfadhili/Mpokeaji	16		(1) ACD
logP	11.845±0.715	Joto: 25 °C	(1) ACD
Uzito wa Masi	988.19