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.

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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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