Fmoc-O-trityl-L-threonine

C38H33NO5CAS 133180-01-5583.68 g/mol

Open in Covalent MOL file
OHONHOOO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C38H33NO5
Molar mass
583.68 g/mol
Exact mass
583.2359 Da
logP
7.38Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
10
Stereocentres
R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
133180-01-5
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChIKey
JARBLLDDSTVWSM-IJAHGLKVSA-N
InChI
InChI=1S/C38H33NO5/c1-26(44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29)35(36(40)41)39-37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34/h2-24,26,34-35H,25H2,1H3,(H,39,42)(H,40,41)/t26-,35+/m1/s1

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Names and synonyms

1 names
  • O-Trityl-L-threonine, N-FMOC protected

Work with Fmoc-O-trityl-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

Fmoc-O-tert-butyl-D-threonine138797-71-478 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-478 % similar Fmoc-allo-thr(tbu)-oh201481-37-078 % similar (2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid117872-75-071 % similar Fmoc-D-valine84624-17-969 % similar (2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-266 % similar Fmoc-D-ser(trt)-oh212688-51-266 % similar Fmoc-3,3-diphenyl-L-alanine201484-50-664 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-homoser(trt)-oh111061-55-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook