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13241-00-4 | α-D-xylo-Hexopyranoside, methyl 4-deoxy-
CAS No: 13241-00-4 Catalog No: AG0010OB MDL No:
Product Description
Catalog Number:
AG0010OB
Chemical Name:
α-D-xylo-Hexopyranoside, methyl 4-deoxy-
CAS Number:
13241-00-4
Molecular Formula:
C7H14O5
Molecular Weight:
178.1831
IUPAC Name:
(2S,3R,4S,6S)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
InChI:
InChI=1S/C7H14O5/c1-11-7-6(10)5(9)2-4(3-8)12-7/h4-10H,2-3H2,1H3/t4-,5-,6+,7-/m0/s1
InChI Key:
ARNZRNVPEASSLV-YTLHQDLWSA-N
SMILES:
CO[C@H]1O[C@H](CO)C[C@@H]([C@H]1O)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
178.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.184g/mol
Monoisotopic Mass:
178.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
Literature
| Title | Journal |
|---|---|
| Pathways and populations: stereoelectronic insights into the exocyclic torsion of 5-(hydroxymethyl)tetrahydropyran. | Journal of the American Chemical Society 20080521 |
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