6-O-Phosphoryl Inosine Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C10H14N4O11P2
PTK: 428.1859
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H14N4O11P2
Phân tử khối
428.1859
Monoisotopic mass
428.013430334
InChI
InChI=1S/C10H14N4O11P2/c15-6-4(1-23-26(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)25-27(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=RXRZOKQPANIEDW-FCIPNVEPSA-N
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-[6-(phosphonooxy)-9H-purin-9-yl]oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-[6-(phosphonooxy)purin-9-yl]oxolan-2-yl]methoxyphosphonic acid
SMILES
O[C@H]1[C@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2OP(O)(O)=O
Độ hòa tan
3.37e+00 g/l
logP
-3.6
logS
-2.1
pKa (strongest acidic)
0.69
pKa (Strongest Basic)
2.12
PSA
226.81 Å2
Refractivity
82.22 m3·mol-1
Polarizability
33.79 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
12
H Bond Donor Count
6
Physiological Charge
-4
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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