chempirical

Valiolamine

C7H15NO5CAS 83465-22-9193.20 g/mol

Open in Covalent MOL file
H2NOHOHOHOHHO
AlcoholPrimary amine

Properties

Molecular formula
C7H15NO5
Molar mass
193.20 g/mol
Exact mass
193.0950 Da
logP
-3.48Crippen estimate
Polar surface area
127.2 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
1
Stereocentres
S, S, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
83465-22-9
SMILES
N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
VDLOJRUTNRJDJO-ZYNSJIGGSA-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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • D-Epi-Inositol, 4-amino-3,4-dideoxy-2-C-(hydroxymethyl)-
  • 4-Amino-3,4-dideoxy-2-C-(hydroxymethyl)-D-epi-inositol

Work with Valiolamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Voglibose83480-29-951 % similar Validamine32780-32-832 % similar Beta-D-fructose308066-66-232 % similar β-D-Fructopyranose7660-25-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook