Phosphomethylphosphonic Acid Guanosyl Ester
Thuốc Gốc
Small Molecule
CTHH: C11H17N5O10P2
PTK: 441.2277
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H17N5O10P2
Phân tử khối
441.2277
Monoisotopic mass
441.045064813
InChI
InChI=1S/C11H17N5O10P2/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=OCJWYBKRHNXUME-FCIPNVEPSA-N
IUPAC Name
[({[(2S,3R,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid
Traditional IUPAC Name
{[(2S,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}methylphosphonic acid
SMILES
NC1=NC2=C(N=CN2[C@@H]2O[C@@H](CO[P@@](O)(=O)CP(O)(O)=O)[C@H](O)[C@H]2O)C(=O)N1
Độ hòa tan
4.86e+00 g/l
logP
-4.1
logS
-2
pKa (strongest acidic)
0.88
pKa (Strongest Basic)
1.5
PSA
239.05 Å2
Refractivity
88.72 m3·mol-1
Polarizability
36.2 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
12
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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