2',3'-Dideoxyadenosine-5'-Triphosphate
Thuốc Gốc
Small Molecule
CTHH: C10H16N5O11P3
PTK: 475.1822
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
475.1822
Monoisotopic mass
475.005915915
InChI
InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
InChI Key
InChIKey=OAKPWEUQDVLTCN-NKWVEPMBSA-N
IUPAC Name
({[({[(2S,5R)-5-(6-amino-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional IUPAC Name
({[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
SMILES
NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O1
Độ hòa tan
3.05e+00 g/l
logP
-4.6
logS
-2.2
pKa (strongest acidic)
0.9
pKa (Strongest Basic)
5.01
PSA
238.67 Å2
Refractivity
93.51 m3·mol-1
Polarizability
36.83 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
12
H Bond Donor Count
5
Physiological Charge
-3
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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