Alpha-Methylene Adenosine Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C11H16N5O6P
PTK: 345.2484
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H16N5O6P
Phân tử khối
345.2484
Monoisotopic mass
345.083819781
InChI
InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8+,11+/m0/s1
InChI Key
InChIKey=PXSSQXBLDTZHLF-WOIOKPISSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(methyl)phosphinic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(methyl)phosphinic acid
SMILES
C[P@@](O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N
Độ hòa tan
3.16e+00 g/l
logP
-4.9
logS
-2
pKa (strongest acidic)
1.41
pKa (Strongest Basic)
4.99
PSA
165.84 Å2
Refractivity
76.59 m3·mol-1
Polarizability
30.96 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
9
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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