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Voglibose Impurity 8

CAT: 1596-AR-V06877-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V06877-01Size:10 Units
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CAS Number
1384518-63-1
Molecular Formula
C7H12O6
Molecular Weight
192.17
API Name
Voglibose

Chemical Information

2-epi-Valiolone

2-epi-valiolone is a cyclitol that is valiolone in which the the stereochemistry at position 2 has been inverted (from R to S). It has a role as a bacterial metabolite. It is a cyclitol, a tertiary alcohol and an alicyclic ketone.

CAS Number1384518-63-1
PubChem CID102290074
IUPAC Name(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one
Molecular FormulaC7H12O6
Molecular Weight192.17
XLogP-3
Topological Polar Surface Area118
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity217
SMILES
C1C(=O)[C@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O
InChI
InChI=1S/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5-,6+,7+/m1/s1
InChIKey
JCZFNXYQGNLHDQ-JWXFUTCRSA-N
Chemical Structure
2D Structure
2D structure of 2-epi-Valiolone
CAS: 1384518-63-1
CID: 102290074
Formula: C7H12O6
MW: 192.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.17
XLogP3-3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass192.06338810
Monoisotopic Mass192.06338810
Topological Polar Surface Area118 Ų
Heavy Atom Count13
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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