chempirical

Fmoc-O-(benzylphospho)-L-threonine

C26H26NO8PCAS 175291-56-2511.47 g/mol

Open in Covalent MOL file
OHONHOOOPOHOO
CarbamateCarboxylic acidPhosphate

Properties

Molecular formula
C26H26NO8P
Molar mass
511.47 g/mol
Exact mass
511.1396 Da
logP
4.70Crippen estimate
Polar surface area
131.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
10
Stereocentres
R, 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
175291-56-2
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OP(=O)(O)OCC4=CC=CC=C4
InChIKey
HOFDVXHILSPFNS-OSPHWJPCSA-N
InChI
InChI=1S/C26H26NO8P/c1-17(35-36(31,32)34-15-18-9-3-2-4-10-18)24(25(28)29)27-26(30)33-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23-24H,15-16H2,1H3,(H,27,30)(H,28,29)(H,31,32)/t17-,24+/m1/s1

Weigh it out

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

Work with Fmoc-O-(benzylphospho)-L-threonine

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

(2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid117872-75-073 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid158171-14-371 % similar Fmoc-O-trityl-L-threonine133180-01-561 % similar Fmoc-O-tert-butyl-D-threonine138797-71-461 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-461 % similar Fmoc-allo-thr(tbu)-oh201481-37-061 % similar Fmoc-D-valine84624-17-960 % similar (2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-258 % similar

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

Elsewhere

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