Tìm theo
Metanitrophenyl-Alpha-D-Galactoside
Thuốc Gốc
Small Molecule
CTHH: C12H15NO8
PTK: 301.2494
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
301.2494
Monoisotopic mass
301.079766461
InChI
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m0/s1
InChI Key
InChIKey=VCCMGHVCRFMITI-SVNGYHJRSA-N
IUPAC Name
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol
Traditional IUPAC Name
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol
SMILES
OC[C@@H]1O[C@H](OC2=CC=CC(=C2)[N+]([O-])=O)[C@@H](O)[C@H](O)[C@H]1O
Độ hòa tan
1.69e+01 g/l
logP
-0.66
logS
-1.2
pKa (strongest acidic)
12.2
pKa (Strongest Basic)
-3
PSA
145.2 Å2
Refractivity
67.51 m3·mol-1
Polarizability
27.26 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
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