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Validamine

CAT: 0931-T7731-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T7731-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32780-32-8
Target
Others, Glucosidase, glycosidase
Related Pathways
Metabolism, Others
Bioactivity
Validamine is a natural pseudo-aminosugar.
Smiles
C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](N)C1
Molecular Formula
C7H15NO4
Molecular Weight
177.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Validamine

Validamine is an amino cyclitol consisting of 1D-chiro-inositol lacking the 6-hydroxy group and having those at positions 1 and 5 replaced by amino and hydroxymethyl groups respectively. It is functionally related to a 1D-chiro-inositol.

CAS Number32780-32-8
PubChem CID446685
IUPAC Name(1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
Molecular FormulaC7H15NO4
Molecular Weight177.20
XLogP-2.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO
InChI
InChI=1S/C7H15NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
InChIKey
GSQYAWMREAXBHF-UOYQFSTFSA-N
Chemical Structure
2D Structure
2D structure of Validamine
CAS: 32780-32-8
CID: 446685
Formula: C7H15NO4
MW: 177.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight177.20
XLogP3-2.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass177.10010796
Monoisotopic Mass177.10010796
Topological Polar Surface Area107 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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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