7n-Methyl-8-Hydroguanosine-5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C11H19N5O11P2
PTK: 459.243
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H19N5O11P2
Phân tử khối
459.243
Monoisotopic mass
459.055629499
InChI
InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=QQODJOAVWUWVHJ-FCIPNVEPSA-N
IUPAC Name
[({[(2S,3R,4R,5R)-5-(2-amino-7-methyl-6-oxo-6,7,8,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional IUPAC Name
{[(2S,3R,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
SMILES
CN1CN([C@@H]2O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2
Độ hòa tan
7.91e+00 g/l
logP
-3.5
logS
-1.8
pKa (strongest acidic)
1.77
pKa (Strongest Basic)
4.27
PSA
236.94 Å2
Refractivity
101.13 m3·mol-1
Polarizability
38.22 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
13
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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