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Voglibose Impurity 24

CAT: 1299-RM-V071224-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V071224-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
244230-63-5
Synonyms
(2R,3S,4S,5S) -2,3,4,5-tetrahydroxy-5- (hydroxymethyl) cyclohexan-1-one
Molecular Formula
C7H12O6
Molecular Weight
192.17
Target Alternative Name
Voglibose
Product Name Synonym
(2R,3S,4S,5S) -2,3,4,5-tetrahydroxy-5- (hydroxymethyl) cyclohexan-1-one

Chemical Information

Valiolone

Valiolone is a cyclitol that is cyclohexanone which is substituted by hydroxy groups at positions 2, 3, 4, and 5, and by a hydroxymethyl group at position 5 (the 2R,3S,4S,5S stereoisomer). It is a cyclitol, a tertiary alcohol and an alicyclic ketone.

CAS Number244230-63-5
PubChem CID443630
IUPAC Name(2R,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-/m0/s1
InChIKey
JCZFNXYQGNLHDQ-VZFHVOOUSA-N
Chemical Structure
2D Structure
2D structure of Valiolone
CAS: 244230-63-5
CID: 443630
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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