N7-Methyl-Guanosine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C11H17N5O8P
PTK: 378.2551
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H17N5O8P
Phân tử khối
378.2551
Monoisotopic mass
378.081474057
InChI
InChI=1S/C11H16N5O8P/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/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=AOKQNZVJJXPUQA-FCIPNVEPSA-O
IUPAC Name
2-amino-9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium
Traditional IUPAC Name
2-amino-9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-7-methyl-6-oxo-1H-purin-7-ium
SMILES
C[N+]1=CN([C@@H]2O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2
Độ hòa tan
1.80e+00 g/l
logP
-8.6
logS
-2.4
pKa (strongest acidic)
1.21
pKa (Strongest Basic)
3.1
PSA
192.74 Å2
Refractivity
80.69 m3·mol-1
Polarizability
33.15 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
9
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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