Guanosine-3'-Monophosphate-5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C10H16N5O14P3
PTK: 523.1804
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H16N5O14P3
Phân tử khối
523.1804
Monoisotopic mass
522.990659781
InChI
InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(28-30(18,19)20)3(27-9)1-26-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5+,6-,9+/m0/s1
InChI Key
InChIKey=HEYSFDAMRDTCJM-FULWYAMNSA-N
IUPAC Name
[({[(2S,3R,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional IUPAC Name
{[(2S,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
SMILES
NC1=NC2=C(N=CN2[C@@H]2O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)C(=O)N1
Độ hòa tan
9.10e+00 g/l
logP
-3.4
logS
-1.8
pKa (strongest acidic)
0.7
pKa (Strongest Basic)
1.36
PSA
294.81 Å2
Refractivity
97.24 m3·mol-1
Polarizability
39.84 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
14
H Bond Donor Count
8
Physiological Charge
-4
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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