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.

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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

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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 4-Methoxyphenylglucoside6032-32-265 % 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