chempirical

Helicide

C13H16O7CAS 80154-34-3284.26 g/mol

Open in Covalent MOL file
OOOHOOHOHHO
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C13H16O7
Molar mass
284.26 g/mol
Exact mass
284.0896 Da
logP
-1.32Crippen estimate
Polar surface area
116.5 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
4
Stereocentres
S, R, R, S, Rin 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
80154-34-3
SMILES
C1=CC(=CC=C1C=O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O
InChIKey
OLZAGZCCJJBKNZ-SYLRKERUSA-N
InChI
InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11-,12-,13-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Helicid

Work with Helicide

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

Arbutin497-76-768 % similar α-Arbutin84380-01-868 % similar Phenyl β-D-glucopyranoside1464-44-466 % similar Phenyl β-D-galactopyranoside2818-58-866 % similar Phenyl α-D-glucopyranoside4630-62-066 % similar 4-Methoxyphenyl beta-D-galactopyranoside3150-20-765 % similar 4-Aminophenyl-beta-galactoside5094-33-765 % similar Methylarbutin6032-32-265 % similar

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

Same formula

Helicin618-65-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook