(+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester

C₁₃H₁₈NO₇PCAS 88568-95-0331.26 g/mol

Open in Covalent MOL file

Carbamate Ester Phosphonate

Properties

Molecular formula: C₁₃H₁₈NO₇P
Molar mass: 331.26 g/mol
Exact mass: 331.0821 Da
logP: 1.90Crippen estimate
Polar surface area: 100.2 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 7

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

88568-95-0

SMILES

COC(=O)C(NC(=O)OCC1=CC=CC=C1)P(=O)(OC)OC

InChIKey

GSYSFVSGPABNNL-UHFFFAOYSA-N

InChI

InChI=1S/C13H18NO7P/c1-18-12(15)11(22(17,19-2)20-3)14-13(16)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,16)

Weigh it out

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

Work with (+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl 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

Similar compounds

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

Elsewhere

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