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128536-86-7 | α-D-Glucopyranoside, methyl 4,6-dideoxy-4-[[1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl]amino]- (9CI)
CAS No: 128536-86-7 Catalog No: AG000Y68 MDL No:
Product Description
Catalog Number:
AG000Y68
Chemical Name:
α-D-Glucopyranoside, methyl 4,6-dideoxy-4-[[1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl]amino]- (9CI)
CAS Number:
128536-86-7
IUPAC Name:
4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-6-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol
InChI:
InChI=1S/C14H27NO9/c1-4-6(10(19)13(22)14(23-2)24-4)15-7-8(17)5(3-16)9(18)12(21)11(7)20/h4-22H,3H2,1-2H3
InChI Key:
QAVBCFZZDZITQA-UHFFFAOYSA-N
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
353.368g/mol
Monoisotopic Mass:
353.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
11
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
Literature
| Title | Journal |
|---|---|
| Blockade of nicotine reward and reinstatement by activation of alpha-type peroxisome proliferator-activated receptors. | Biological psychiatry 20110401 |
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