7-Methyl-Guanosine-5'-Triphosphate
Thuốc Gốc
Small Molecule
CTHH: C11H19N5O14P3
PTK: 538.2149
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H19N5O14P3
Phân tử khối
538.2149
Monoisotopic mass
538.014134877
InChI
InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=DKVRNHPCAOHRSI-FCIPNVEPSA-O
IUPAC Name
2-amino-9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-({[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}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-[({hydroxy[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-2-yl]-7-methyl-6-oxo-1H-purin-7-ium
SMILES
C[N+]1=CN([C@@H]2O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2
Độ hòa tan
8.02e+00 g/l
logP
-9.7
logS
-1.9
pKa (strongest acidic)
0.89
pKa (Strongest Basic)
3.51
PSA
285.8 Å2
Refractivity
102.43 m3·mol-1
Polarizability
41.84 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
13
H Bond Donor Count
8
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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