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

Taarifa za Msingi:

Tutumie barua pepe

Maelezo ya Bidhaa

Lebo za Bidhaa

Maelezo ya Dawa

Nambari ya Usajili ya CAS

110782-31-5

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

Sifa Muhimu za Kimwili	Thamani	Hali
Uzito wa Masi	887.96	-
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)C1OC)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](OC)[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/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(50-30-51-45(41)54)53-46(5) 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/h8-13,15-26,30-33,40,4 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

2 Majina Mengine ya Dawa 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)

Spectra ya Majaribio

Spectra inapatikana
13 C NMR
Hetero NMR
Misa

Mali Zilizotabiriwa

Mali zinazopatikana
Kibiolojia
Kemikali
Lipinski
Kuhusiana na Muundo

Kibiolojia

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	4050	pH 1; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.08 x 105	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	2.10 x 105	pH 9; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	60800	pH 10; Joto: 25 °C	(1) ACD

Kemikali

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

Mali	Thamani	Hali	Chanzo
Koc	5.78 x 105	pH 8; Joto: 25 °C	(1) ACD
Koc	95000	pH 9; Joto: 25 °C	(1) ACD
Koc	27500	pH 10; Joto: 25 °C	(1) ACD
logD	6.01	pH 1; Joto: 25 °C	(1) ACD
logD	7.43	pH 2; Joto: 25 °C	(1) ACD
logD	8.44	pH 3; Joto: 25 °C	(1) ACD
logD	8.93	pH 4; Joto: 25 °C	(1) ACD
logD	9.02	pH 5; Joto: 25 °C	(1) ACD
logD	9.02	pH 6; Joto: 25 °C	(1) ACD
logD	8.94	pH 7; Joto: 25 °C	(1) ACD
logD	8.51	pH 8; Joto: 25 °C	(1) ACD
logD	7.72	pH 9; Joto: 25 °C	(1) ACD
logD	7.18	pH 10; Joto: 25 °C	(1) ACD
logP	9.038±0.723	Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Misa	1.4 x 10-5 g/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.014 g/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.3 x 10-4 g/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.3 x 10-5 g/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.7 x 10-5 g/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.3 x 10-5 g/L	pH 5; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.3 x 10-5 g/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.7 x 10-5 g/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.5 x 10-5 g/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	2.8 x 10-4 g/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	9.8 x 10-4 g/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.7 x 10-5 g/L	Maji yasio na buffered pH 6.99; Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Molar	1.6 x 10-8 mol/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.6 x 10-5 mol/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	6.0 x 10-7 mol/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	6.0 x 10-8 mol/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.9 x 10-8 mol/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.5 x 10-8 mol/L	pH 5; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa Molar	1.5 x 10-8 mol/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.9 x 10-8 mol/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	5.1 x 10-8 mol/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	3.1 x 10-7 mol/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.9 x 10-8 mol/L	Maji yasio na buffered pH 6.99; Joto: 25 °C	(1) ACD
Uzito wa Masi	887.96
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	19		(1) ACD
H Wakubali	15		(1) ACD
H Wafadhili	1		(1) ACD
H Jumla ya Mfadhili/Mpokeaji	16		(1) ACD
logP	9.038±0.723	Joto: 25 °C	(1) ACD
Uzito wa Masi	887.96

Kuhusiana na Muundo

Mali	Thamani	Chanzo cha Hali
Eneo la Uso wa Polar	178 A2	(1) ACD

Spectra iliyotabiriwa

Spectra inapatikana
1 H NMR
13 C NMR

Taarifa za Hatari za GHS

Kanuni	Taarifa ya Hatari	Chanzo
H335	Inaweza kusababisha kuwasha kwa kupumua	Mtaalam Aliyesimamiwa

Kanuni	Taarifa ya Hatari	Chanzo
H331	Sumu ikiwa inavutwa	Mtaalam Aliyesimamiwa
H319	Husababisha muwasho mkubwa wa macho	Mtaalam Aliyesimamiwa
H315	Husababisha kuwasha kwa ngozi	Mtaalam Aliyesimamiwa
H311	Sumu katika kuwasiliana na ngozi	Mtaalam Aliyesimamiwa
H301+H311+H331	Sumu ikiwa imemeza, inapogusana na ngozi au inapovutwa	Mtaalam Aliyesimamiwa
H301	Sumu ikiwa imemeza	Mtaalam Aliyesimamiwa