Histidyl-Adenosine Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C16H20N8O8P
PTK: 483.3526
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H20N8O8P
Phân tử khối
483.3526
Monoisotopic mass
483.114171168
IUPAC Name
(R)-([(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(2R)-2-azaniumyl-3-(imidazol-4-yl)propanoyl]oxy}phosphonate)
Traditional IUPAC Name
(R)-([(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R)-2-aminio-3-(imidazol-4-yl)propanoyl]oxyphosphonate)
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@@]([O-])(=O)OC(=O)[C@H]([NH3+])Cc2cncn2)[C@H](O)[C@H]1O
Độ hòa tan
1.57e+00 g/l
logP
-4.1
logS
-2.5
pKa (strongest acidic)
0.76
pKa (Strongest Basic)
6.72
PSA
248.39 Å2
Refractivity
117.61 m3·mol-1
Polarizability
42.76 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
12
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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