Tìm theo
deoxycytidylyl-3',5'-guanosine
Thuốc Gốc
Small Molecule
CAS: 52474-59-6
CTHH: C19H25N8O10P
PTK: 556.4232
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H25N8O10P
Phân tử khối
556.4232
Monoisotopic mass
556.143125572
InChI
InChI=1S/C19H25N8O10P/c20-12-1-2-26(19(31)23-12)14-4-9(10(5-28)35-14)37-38(32,33)34-6-11-8(29)3-13(36-11)27-7-22-15-16(27)24-18(21)25-17(15)30/h1-2,7-11,13-14,28-29H,3-6H2,(H,32,33)(H2,20,23,31)(H3,21,24,25,30)/t8-,9-,10+,11+,13-,14-/m1/s1
InChI Key
InChIKey=OBCJQWSXSLYWHI-BSTSDWCZSA-N
IUPAC Name
{[(2S,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[(2S,3R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid
Traditional IUPAC Name
[(2S,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy[(2S,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxyphosphinic acid
SMILES
NC1=NC2=C(N=CN2[C@H]2C[C@@H](O)[C@H](CO[P@@](O)(=O)O[C@@H]3C[C@@H](O[C@H]3CO)N3C=CC(N)=NC3=O)O2)C(=O)N1
Độ hòa tan
2.91e+00 g/l
logP
-3.2
logS
-2.3
pKa (strongest acidic)
2.04
pKa (Strongest Basic)
1.4
PSA
258.67 Å2
Refractivity
123.24 m3·mol-1
Polarizability
50.02 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
13
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
5
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03326
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936643
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504759
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