Pantoyl Adenylate
Thuốc Gốc
Small Molecule
CTHH: C16H24N5O10P
PTK: 477.363
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
477.363
Monoisotopic mass
477.126078525
InChI
InChI=1S/C16H24N5O10P/c1-16(2,4-22)11(25)15(26)31-32(27,28)29-3-7-9(23)10(24)14(30-7)21-6-20-8-12(17)18-5-19-13(8)21/h5-7,9-11,14,22-25H,3-4H2,1-2H3,(H,27,28)(H2,17,18,19)/t7-,9-,10+,11-,14+/m0/s1
InChI Key
InChIKey=GDPVENOGSVMRJL-NPPWWWSGSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]oxy})phosphinic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]oxyphosphinic acid
SMILES
CC(C)(CO)[C@@H](O)C(=O)O[P@@](O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N
Độ hòa tan
2.93e+00 g/l
logP
-4.9
logS
-2.2
pKa (strongest acidic)
0.77
pKa (Strongest Basic)
4.99
PSA
232.6 Å2
Refractivity
104.58 m3·mol-1
Polarizability
42.99 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
12
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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