chempirical

Phaseoloidin

C14H18O9CAS 118555-82-1330.29 g/mol

Open in Covalent MOL file
HOOHOOOHOOHOHHO
AcetalAlcoholCarboxylic acidEtherPhenol

Properties

Molecular formula
C14H18O9
Molar mass
330.29 g/mol
Exact mass
330.0951 Da
logP
-1.80Crippen estimate
Polar surface area
156.9 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
5
Stereocentres
S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
118555-82-1
SMILES
C1=CC(=C(C=C1O)CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChIKey
MVFYXXNAFZRZAM-RGCYKPLRSA-N
InChI
InChI=1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1

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

Work with Phaseoloidin

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

Curculigoside A85643-19-258 % similar Arbutin497-76-756 % similar α-Arbutin84380-01-856 % similar Liquiritin551-15-552 % similar Salicin138-52-352 % similar Phlorizin60-81-151 % similar Isoliquiritin5041-81-650 % similar Picein530-14-348 % similar

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

Elsewhere

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