chempirical

Parishin E

C19H24O13CAS 952068-57-4460.39 g/mol

Open in Covalent MOL file
OOOOHOOHOHOOHOOHOHHO
AcetalAlcoholCarboxylic acidEsterEther

Properties

Molecular formula
C19H24O13
Molar mass
460.39 g/mol
Exact mass
460.1217 Da
logP
-2.41Crippen estimate
Polar surface area
220.5 Ų
H-bond donors / acceptors
7 / 11
Rotatable bonds
10
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
952068-57-4
SMILES
C1=CC(=CC=C1COC(=O)CC(CC(=O)O)(C(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChIKey
XAIUTKHLNZBMEG-HUNOYVTQSA-N
InChI
InChI=1S/C19H24O13/c20-7-11-14(24)15(25)16(26)17(32-11)31-10-3-1-9(2-4-10)8-30-13(23)6-19(29,18(27)28)5-12(21)22/h1-4,11,14-17,20,24-26,29H,5-8H2,(H,21,22)(H,27,28)/t11-,14-,15+,16-,17-,19?/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • 2-(2-((4-(Beta-D-Glucopyranosyloxy)benzyl)oxy)-2-oxoethyl)-2-hydroxysuccinic acid

Work with Parishin E

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

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

Elsewhere

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