7n-Methyl-8-Hydroguanosine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C11H18N5O8P
PTK: 379.2631
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H18N5O8P
Phân tử khối
379.2631
Monoisotopic mass
379.089299089
InChI
InChI=1S/C11H18N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=ZMWJGXGSWZFZPJ-FCIPNVEPSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(2-amino-7-methyl-6-oxo-6,7,8,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
CN1CN([C@@H]2O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2
Độ hòa tan
8.92e+00 g/l
logP
-2.9
logS
-1.6
pKa (strongest acidic)
1.22
pKa (Strongest Basic)
4.22
PSA
190.41 Å2
Refractivity
90.26 m3·mol-1
Polarizability
33.47 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
11
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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