chempirical

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

C25H24NO8PCAS 158171-14-3497.44 g/mol

Open in Covalent MOL file
OPOHOOOHONHOO
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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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