chempirical

L-Tartaric acid dibenzyl ester

C18H18O6CAS 622-00-4330.34 g/mol

Open in Covalent MOL file
OOOOHOOH
AlcoholEster

Properties

Molecular formula
C18H18O6
Molar mass
330.34 g/mol
Exact mass
330.1103 Da
logP
1.19Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
7
Stereocentres
R, 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
622-00-4
SMILES
C1=CC=C(C=C1)COC(=O)[C@@H]([C@H](C(=O)OCC2=CC=CC=C2)O)O
InChIKey
LCKIPSGLXMCAOF-HZPDHXFCSA-N
InChI
InChI=1S/C18H18O6/c19-15(17(21)23-11-13-7-3-1-4-8-13)16(20)18(22)24-12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2/t15-,16-/m1/s1

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Work with L-Tartaric acid dibenzyl ester

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

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

Same formula

Acetylshikonin24502-78-1 Triallyl trimellitate2694-54-4

Elsewhere

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