2'-Deoxyguanosine-5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C10H15N5O10P2
PTK: 427.2011
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H15N5O10P2
Phân tử khối
427.2011
Monoisotopic mass
427.029414749
InChI
InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6-/m1/s1
InChI Key
InChIKey=CIKGWCTVFSRMJU-NGJCXOISSA-N
IUPAC Name
[({[(2S,3R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional IUPAC Name
{[(2S,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
SMILES
NC1=NC2=C(N=CN2[C@H]2C[C@@H](O)[C@H](CO[P@](O)(=O)OP(O)(O)=O)O2)C(=O)N1
Độ hòa tan
3.60e+00 g/l
logP
-2.6
logS
-2.1
pKa (strongest acidic)
1.97
pKa (Strongest Basic)
1.36
PSA
228.05 Å2
Refractivity
84.86 m3·mol-1
Polarizability
34.01 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
11
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
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