2'-Deoxyguanosine-5'-Triphosphate
Thuốc Gốc
Small Molecule
CAS: 2564-35-4
CTHH: C10H16N5O13P3
PTK: 507.181
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H16N5O13P3
Phân tử khối
507.181
Monoisotopic mass
506.995745159
InChI
InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6-/m1/s1
InChI Key
InChIKey=HAAZLUGHYHWQIW-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](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}oxy(hydroxy)phosphoryl)oxyphosphonic acid
SMILES
NC1=NC2=C(N=CN2[C@H]2C[C@@H](O)[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O2)C(=O)N1
Độ hòa tan
5.59e+00 g/l
logP
-2.8
logS
-2
pKa (strongest acidic)
0.82
pKa (Strongest Basic)
1.61
PSA
274.58 Å2
Refractivity
95.73 m3·mol-1
Polarizability
38.39 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
13
H Bond Donor Count
7
Physiological Charge
-3
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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