Deoxyvalidamine
Basic information
- CAS
100157-27-5- Standard SMILES
N[C@H]1C[C@H](CO)[C@@H](O)C[C@H]1O- InChIKey
FFRMLFVGYPMNPT-JRTVQGFMSA-N- Molecular formula
- C7H15NO3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.10519334
Overview
Deoxyvalidamine is a member of cyclohexanols.
Names & identifiers
- Preferred name
- Deoxyvalidamine
- IUPAC
- (1S,3R,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,3-diol
- English name
- deoxyvalidamine
- Molecular weight
- 0
Names & synonyms
Deoxyvalidamine100157-27-51,3-Cyclohexanediol, 4-amino-6-(hydroxymethyl)-, (1S-(1alpha,3alpha,4alpha,6beta))-RefChem:919893(1S,3R,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,3-diolDTXSID90905232CHEBI:1892164-amino-6-(hydroxymethyl)cyclohexane-1,3-diol(1S)-4β-Amino-6α-(hydroxymethyl)-1β,3β-cyclohexanediol
Database identifiers
- CAS
100157-27-5- PubChem CID
- 127490
- DTXSID
DTXSID90905232- ChEBI
CHEBI:189216- Nikkaji
- J93.440B
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that inhibit or block the activity of GLYCOSIDE HYDROLASES such as ALPHA-AMYLASES and ALPHA-GLUCOSIDASES.
Additional notes
DefinitionChEBI: Deoxyvalidamine is a member of cyclohexanols.
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Related reactions
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Compound notes
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