C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 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

251647-53-7

H302

Sifa Muhimu za Kimwili	Thamani	Hali
Uzito wa Masi	932.01	-
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)C1OCCOC)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](OCCOC)[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/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-) 9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45) (44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11 -16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-, 44-,45-,49-,67?/m1/s1

Ufunguo wa InChI

VPBYBQBHLYRLHG-HDMAWCRFSA-N

16 Majina Mengine ya Dawa hii

Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)

phosphoramidite] (9CI); 16: PN: US20030211606 UKURASA: 19 mlolongo unaodaiwa; 16: PN: US20030212017 UKURASA: 20 mlolongo unaodaiwa; 17: PN: US20040005569 UKURASA: 22 mlolongo unaodaiwa; 19: PN: US20040006030 UKURASA: 23 mlolongo unaodaiwa; 19: PN: US20040014047

UKURASA: Mlolongo 21 unaodaiwa; 19: PN: US20040014049 UKURASA: 21 mlolongo unaodaiwa; 20: PN: US20040005570 UKURASA: 20 wanadaiwa

mlolongo; 20: PN: US20040014048 UKURASA: 21 mlolongo unaodaiwa; 20: PN: US20040014050 UKURASA: 20 mlolongo unaodaiwa; 21: PN: U

S20040005565 UKURASA: 17- 22 mlolongo unaodaiwa; 21: PN: US20040014051 UKURASA: 23 mlolongo unaodaiwa; 22: PN: US20040014699 UKURASA: 20 mlolongo unaodaiwa; 23: PN: US20040006029 UKURASA: 23 mlolongo unaodaiwa; 23: PN: WO03106645 UKURASA: 73 mlolongo unaodaiwa; 94: P N: US20040005707 UKURASA: 20 mlolongo unaodaiwa

Spectra ya Majaribio

Spectra inapatikana
1 H NMR
13 C NMR
Hetero NMR

Mali Zilizotabiriwa

Mali zinazopatikana
Kibiolojia
Kemikali
Lipinski
Kuhusiana na Muundo

Kibiolojia

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	2680	pH 1; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	71500	pH 2; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	7.21 x 105	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	8.48 x 105	pH 8; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.39 x 105	pH 9; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	40300	pH 10; Joto: 25 °C	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
Koc	1360	pH 1; Joto: 25 °C	(1) ACD
Koc	36300	pH 2; Joto: 25 °C	(1) ACD
Koc	3.66 x 105	pH 3; Joto: 25 °C	(1) ACD
Koc	1.13 x 106	pH 4; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Koc	1.42 x 106	pH 5; Joto: 25 °C	(1) ACD
Koc	1.42 x 106	pH 6; Joto: 25 °C	(1) ACD
Koc	1.17 x 106	pH 7; Joto: 25 °C	(1) ACD
Koc	4.30 x 105	pH 8; Joto: 25 °C	(1) ACD
Koc	70800	pH 9; Joto: 25 °C	(1) ACD
Koc	20500	pH 10; Joto: 25 °C	(1) ACD
logD	5.77	pH 1; Joto: 25 °C	(1) ACD
logD	7.20	pH 2; Joto: 25 °C	(1) ACD
logD	8.20	pH 3; Joto: 25 °C	(1) ACD
logD	8.69	pH 4; Joto: 25 °C	(1) ACD
logD	8.79	pH 5; Joto: 25 °C	(1) ACD
logD	8.79	pH 6; Joto: 25 °C	(1) ACD
logD	8.71	pH 7; Joto: 25 °C	(1) ACD
logD	8.27	pH 8; Joto: 25 °C	(1) ACD
logD	7.49	pH 9; Joto: 25 °C	(1) ACD
logD	6.95	pH 10; Joto: 25 °C	(1) ACD
logP	8.803±0.766	Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Misa	5.4 x 10-5 g/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.051 g/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.9 x 10-3 g/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.9 x 10-4 g/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	6.0 x 10-5 g/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.8 x 10-5 g/L	pH 5; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.8 x 10-5 g/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-5 g/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.6 x 10-4 g/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	9.3 x 10-4 g/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	3.6 x 10-3 g/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.7 x 10-5 g/L	Maji yasio na buffered pH 6.97; Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Molar	5.8 x 10-8 mol/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	5.5 x 10-5 mol/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.0 x 10-6 mol/L	pH 2; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa Molar	2.0 x 10-7 mol/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	6.4 x 10-8 mol/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	5.1 x 10-8 mol/L	pH 5; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	5.1 x 10-8 mol/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	6.2 x 10-8 mol/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.7 x 10-7 mol/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.0 x 10-6 mol/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	3.9 x 10-6 mol/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	6.1 x 10-8 mol/L	Maji yasio na buffered pH 6.97; Joto: 25 °C	(1) ACD
Uzito wa Masi	932.01
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	22		(1) ACD
H Wakubali	16		(1) ACD
H Wafadhili	1		(1) ACD
H Jumla ya Mfadhili/Mpokeaji	17		(1) ACD
logP	8.803±0.766	Joto: 25 °C	(1) ACD
Uzito wa Masi	932.01