chempirical

Boc-3,5-diiodo-L-tyrosine

C14H17I2NO5CAS 62129-53-7533.10 g/mol

Open in Covalent MOL file
OONHIOHIOHO
Aryl halideCarbamateCarboxylic acidPhenol

Properties

Molecular formula
C14H17I2NO5
Molar mass
533.10 g/mol
Exact mass
532.9196 Da
logP
3.12Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
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
62129-53-7
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O
InChIKey
CTUIJSMDTYBOLW-JTQLQIEISA-N
InChI
InChI=1S/C14H17I2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)/t10-/m0/s1

Weigh it out

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

Work with Boc-3,5-diiodo-L-tyrosine

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

Boc-4-iodo-D-phenylalanine176199-35-267 % similar Boc-D-tyr-oh70642-86-367 % similar Boc-D-3,4,5-trifluorophenylalanine205445-55-265 % similar Boc-dl-phe-oh4530-18-165 % similar Fmoc-tyr(3,5-I2)-OH103213-31-663 % similar Boc-L-4-fluorophe41153-30-461 % similar (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid47375-34-861 % similar Boc-4-amino-L-phenylalanine55533-24-961 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook