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Valiolamine

CAT: 1299-RM-V071203-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V071203-04Size:100 mg
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CAS Number
83465-22-9
Synonyms
(1S,2S,3R,4S,5S) -5-amino-1- (hydroxymethyl) cyclohexane-1,2,3,4-tetraol
Molecular Formula
C7H15NO5
Molecular Weight
193.2
Target Alternative Name
Voglibose
Product Name Synonym
(1S,2S,3R,4S,5S) -5-amino-1- (hydroxymethyl) cyclohexane-1,2,3,4-tetraol

Chemical Information

Valiolamine

Valiolamine is an amino cyclitol.

CAS Number83465-22-9
PubChem CID174312
IUPAC Name(1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Molecular FormulaC7H15NO5
Molecular Weight193.20
XLogP-3.3
Topological Polar Surface Area127
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity190
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N
InChI
InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1
InChIKey
VDLOJRUTNRJDJO-ZYNSJIGGSA-N
Chemical Structure
2D Structure
2D structure of Valiolamine
CAS: 83465-22-9
CID: 174312
Formula: C7H15NO5
MW: 193.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight193.20
XLogP3-3.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass193.09502258
Monoisotopic Mass193.09502258
Topological Polar Surface Area127 Ų
Heavy Atom Count13
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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