Cytidyl-2'-5'-Phospho-Guanosine
Thuốc Gốc
Small Molecule
CTHH: C19H25N8O12P
PTK: 588.422
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H25N8O12P
Phân tử khối
588.422
Monoisotopic mass
588.132954816
InChI
InChI=1S/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)17-13(11(30)6(3-28)37-17)39-40(34,35)36-4-7-10(29)12(31)16(38-7)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)/t6-,7-,10-,11-,12+,13+,16+,17+/m0/s1
InChI Key
InChIKey=QZDUXDLOEVJGDG-BWDUBGIRSA-N
IUPAC Name
{[(2R,3R,4S,5S)-2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}({[(2S,3R,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
Traditional IUPAC Name
[(2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy[(2S,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphinic acid
SMILES
NC1=NC2=C(N=CN2[C@@H]2O[C@@H](CO[P@@](O)(=O)O[C@@H]3[C@@H](O)[C@H](CO)O[C@H]3N3C=CC(N)=NC3=O)[C@H](O)[C@H]2O)C(=O)N1
Độ hòa tan
3.79e+00 g/l
logP
-4.9
logS
-2.2
pKa (strongest acidic)
2.01
pKa (Strongest Basic)
1.37
PSA
299.13 Å2
Refractivity
126.26 m3·mol-1
Polarizability
51.48 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
15
H Bond Donor Count
8
Physiological Charge
-1
Number of Rings
5
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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