Helicin

C13H16O7CAS 618-65-5284.26 g/mol

Open in Covalent MOL file
OOOHOHOHOOH
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C13H16O7
Molar mass
284.26 g/mol
Exact mass
284.0896 Da
Melting point
175 °C
logP
-1.32Crippen estimate
Polar surface area
116.5 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
4
Stereocentres
S, R, S, 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
618-65-5
SMILES
O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
BGOFCVIGEYGEOF-UJPOAAIJSA-N
InChI
InChI=1S/C13H16O7/c14-5-7-3-1-2-4-8(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

3 names
  • Benzaldehyde, 2-(β-D-glucopyranosyloxy)-
  • 2-(β-D-Glucopyranosyloxy)benzaldehyde
  • Salicylaldehyde 3-O-acetyl-β-D-glucopyranoside

Work with Helicin

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

Salicin138-52-363 % similar Phenyl β-D-glucopyranoside1464-44-459 % similar Phenyl β-D-galactopyranoside2818-58-859 % similar Phenyl α-D-glucopyranoside4630-62-059 % similar 2-Nitrophenyl β-D-glucopyranoside2816-24-259 % similar ortho-Nitrophenyl-β-galactoside369-07-359 % similar Glucovanillin494-08-658 % similar 1H-Indol-3-yl beta-D-galactopyranoside126787-65-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Helicide80154-34-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia