(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid

C25H24NO8PCAS 158171-14-3497.44 g/mol

Open in Covalent MOL file
OPOOHOOOHNHOO
CarbamateCarboxylic acidPhosphate

Properties

Molecular formula
C25H24NO8P
Molar mass
497.44 g/mol
Exact mass
497.1240 Da
logP
4.31Crippen estimate
Polar surface area
131.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
158171-14-3
SMILES
C1=CC=C(C=C1)COP(=O)(O)OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
ZBPUWGDUVAAWJY-QHCPKHFHSA-N
InChI
InChI=1S/C25H24NO8P/c27-24(28)23(16-34-35(30,31)33-14-17-8-2-1-3-9-17)26-25(29)32-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)(H,30,31)/t23-/m0/s1

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Names and synonyms

1 names
  • Fmoc-O-(benzylphospho)-L-serine

Work with (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid

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-O-benzyl-L-serine83792-48-772 % similar Fmoc-O-(benzylphospho)-L-threonine175291-56-271 % similar Fmoc-phe-oh286460-71-767 % similar Fmoc-D-phenylalanine86123-10-667 % similar Fmoc-L-aspartic acid 4-benzyl ester86060-84-666 % similar Fmoc-L-homophenylalanine132684-59-466 % similar Fmoc-D-homophenylalanine135944-09-166 % similar Fmoc-D-homophenylalanine135994-09-166 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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