chempirical

Fmoc-D-4-iodophenylalanine

C24H20INO4CAS 205526-29-0513.33 g/mol

Open in Covalent MOL file
OOHINHOO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C24H20INO4
Molar mass
513.33 g/mol
Exact mass
513.0437 Da
logP
5.03Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
205526-29-0
SMILES
O=C(O)[C@@H](Cc1ccc(I)cc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
LXOXXTQKKRJNNB-JOCHJYFZSA-N
InChI
InChI=1S/C24H20INO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine
  • D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-iodo-
  • Fmoc-p-I-D-phe-OH

Work with Fmoc-D-4-iodophenylalanine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(4-iodophenyl)propanoic acid82565-68-2Enantiomer

Similar compounds

Fmoc-L-phenylalanine35661-40-682 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid205526-38-179 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-4-fluoro-D-phenylalanine177966-64-278 % similar Fmoc-4-cyano-D-phenylalanine205526-34-776 % similar 4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine117666-97-475 % similar Fmoc-D-tyr(4-et)-OH162502-65-072 % similar Fmoc-3,4-dichloro-D-phenylalanine177966-58-472 % similar Fmoc-3,4-dichloro-L-phenylalanine177966-59-572 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook