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2595-07-5 | β-D-Galactopyranoside, 2-propen-1-yl
CAS No: 2595-07-5 Catalog No: AG002R68 MDL No:MFCD08274511
Product Description
Catalog Number:
AG002R68
Chemical Name:
β-D-Galactopyranoside, 2-propen-1-yl
CAS Number:
2595-07-5
Molecular Formula:
C9H16O6
Molecular Weight:
220.2197
MDL Number:
MFCD08274511
IUPAC Name:
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
InChI:
InChI=1S/C9H16O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h2,5-13H,1,3-4H2/t5-,6+,7+,8-,9-/m1/s1
InChI Key:
XJNKZTHFPGIJNS-QMGXLNLGSA-N
SMILES:
C=CCO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
220.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
220.221g/mol
Monoisotopic Mass:
220.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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