Tìm theo
1-O-[O-Nitrophenyl]-Beta-D-Galactopyranose
Thuốc Gốc
Small Molecule
CTHH: C12H15NO8
PTK: 301.2494
Includes ortho-, meta-, and para-nitrophenylgalactosides. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H15NO8
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)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m0/s1
InChI Key
InChIKey=KUWPCJHYPSUOFW-SVNGYHJRSA-N
IUPAC Name
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
Traditional IUPAC Name
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(2-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
2.06e+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
27.09 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
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01920
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=735951
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506744
ChemSpider
http://www.chemspider.com/Chemical-Structure.190720.html
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