Fmoc-O-phospho-L-tyrosine

C24H22NO8PCAS 147762-53-6483.41 g/mol

Open in Covalent MOL file
OONHOPOOHOHOHO
CarbamateCarboxylic acidPhosphate

Properties

Molecular formula
C24H22NO8P
Molar mass
483.41 g/mol
Exact mass
483.1083 Da
logP
3.69Crippen estimate
Polar surface area
142.4 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
147762-53-6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)OP(=O)(O)O)C(=O)O
InChIKey
AMXUJIHSMANWDW-QFIPXVFZSA-N
InChI
InChI=1S/C24H22NO8P/c26-23(27)22(13-15-9-11-16(12-10-15)33-34(29,30)31)25-24(28)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,25,28)(H,26,27)(H2,29,30,31)/t22-/m0/s1

Weigh it out

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Work with Fmoc-O-phospho-L-tyrosine

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

Fmoc-D-4-methoxyphe201335-88-873 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-O-methyl-L-tyrosine77128-72-473 % similar Fmoc-phe-oh286460-71-773 % similar Fmoc-D-phenylalanine86123-10-673 % similar Fmoc-D-tyr-oh112883-29-172 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-072 % similar Fmoc-L-4,4'-biphenylalanine199110-64-071 % similar Fmoc-D-tyr(bzl)-oh138775-48-170 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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