Aminophosphonic Acid-Guanylate Ester
Thuốc Gốc
Small Molecule
CTHH: C10H16N6O10P2
PTK: 442.2158
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H16N6O10P2
Phân tử khối
442.2158
Monoisotopic mass
442.040313786
InChI
InChI=1S/C10H16N6O10P2/c11-10-14-7-4(8(19)15-10)13-2-16(7)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(12,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H3,12,20,21)(H3,11,14,15,19)/t3-,5-,6+,9+/m0/s1
InChI Key
InChIKey=ZGPDMUBRWRJAQQ-BZKDHIKHSA-N
IUPAC Name
{[amino(hydroxy)phosphoryl]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
[amino(hydroxy)phosphoryl]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[P@@](N)(O)=O)[C@H](O)[C@H]2O)C(=O)N1
Độ hòa tan
4.05e+00 g/l
logP
-3.7
logS
-2
pKa (strongest acidic)
0.42
pKa (Strongest Basic)
1.59
PSA
254.07 Å2
Refractivity
87.9 m3·mol-1
Polarizability
35.64 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
11
H Bond Donor Count
7
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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