(+/-)-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

Warning

H302 Harmful if swallowed89.1% of notifiers
H315 Causes skin irritation15.2% of notifiers
H319 Causes serious eye irritation15.2% of notifiers
H335 May cause respiratory irritation15.2% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Z-Ala-ome28819-05-863 % similar (2S,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate57224-63-257 % similar Z-Asp-ome4668-42-256 % similar O-tert-Butyl-N-carbobenzoxy-L-serine methyl ester1872-59-955 % similar Methyl ((tert-butoxy(hydroxy)methylidene)amino)(dimethoxyphosphoryl)acetate89524-98-155 % similar Z-Glu-ome5672-83-354 % similar (S)-Benzyl (2-oxooxetan-3-YL)carbamate26054-60-452 % similar N-Cbz-L-homoserine lactone35677-89-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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