chempirical

Homoarbutin

C13H18O7CAS 25712-94-1286.28 g/mol

Open in Covalent MOL file
OOHOHOOHOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C13H18O7
Molar mass
286.28 g/mol
Exact mass
286.1053 Da
logP
-1.12Crippen estimate
Polar surface area
119.6 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
3

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
25712-94-1
SMILES
CC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O
InChIKey
SUSHDSMGFVANCQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O7/c1-6-4-7(2-3-8(6)15)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3

Weigh it out

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

Work with Homoarbutin

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

Arbutin497-76-764 % similar α-Arbutin84380-01-864 % similar 2-Naphthalenyl β-D-galactopyranoside33993-25-860 % similar Mulberroside A102841-42-960 % similar 4-Methylumbelliferyl α-D-glucopyranoside17833-43-159 % similar 4-Methylumbelliferyl β-D-glucopyranoside18997-57-459 % similar 4-Methylumbelliferyl α-D-mannopyranoside28541-83-559 % similar 4-Methylumbelliferyl α-D-galactopyranoside38597-12-559 % similar

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

Same formula

Salicin138-52-3 4-Methoxyphenyl beta-D-galactopyranoside3150-20-7 Methylarbutin6032-32-2 Gastrodin62499-27-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook