Mono-[3,4-Dihydroxy-5-(5-Methyl-Benzoimidazol-1-Yl)-Tetrahydor-Furan-2-Ylmethyl] Ester
Thuốc Gốc
Small Molecule
CTHH: C13H17N2O7P
PTK: 344.257
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H17N2O7P
Phân tử khối
344.257
Monoisotopic mass
344.07733742
InChI
InChI=1S/C13H17N2O7P/c1-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(22-13)5-21-23(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12+,13+/m0/s1
InChI Key
InChIKey=HGUDFQQPANTQEU-WUHRBBMRSA-N
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(5-methyl-1H-1,3-benzodiazol-1-yl)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(5-methyl-1,3-benzodiazol-1-yl)oxolan-2-yl]methoxyphosphonic acid
SMILES
CC1=CC=C2N(C=NC2=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O
Độ hòa tan
1.82e+00 g/l
logP
-1.9
logS
-2.3
pKa (strongest acidic)
1.22
pKa (Strongest Basic)
5.66
PSA
134.27 Å2
Refractivity
77.48 m3·mol-1
Polarizability
31.76 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
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading