Alpha-Ribazole-5'-Phosphate
Thuốc Gốc
Small Molecule
CTHH: C14H19N2O7P
PTK: 358.2836
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
358.2836
Monoisotopic mass
358.092987484
InChI
InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13+,14+/m0/s1
InChI Key
InChIKey=ZMRGXEJKZPRBPJ-IGQOVBAYSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(5,6-dimethyl-1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O
Độ hòa tan
1.53e+00 g/l
logP
-1.5
logS
-2.4
pKa (strongest acidic)
1.22
pKa (Strongest Basic)
5.81
PSA
134.27 Å2
Refractivity
82.52 m3·mol-1
Polarizability
33.82 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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