chempirical

Z-D-Thr-oh

C12H15NO5CAS 80384-27-6253.25 g/mol

Open in Covalent MOL file
OOHNHOOHO
AlcoholCarbamateCarboxylic acid

Properties

Molecular formula
C12H15NO5
Molar mass
253.25 g/mol
Exact mass
253.0950 Da
logP
0.75Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
S, Rin 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
80384-27-6
SMILES
C[C@@H]([C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)O
InChIKey
IPJUIRDNBFZGQN-WCBMZHEXSA-N
InChI
InChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m0/s1

Weigh it out

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

Work with Z-D-Thr-oh

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.

Z-Thr-OH19728-63-3Enantiomer

Similar compounds

Cbz-D-valine1685-33-277 % similar Z-Thr(bzl)-oh69863-36-172 % similar (2S,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate57224-63-271 % similar N-Cbz-D-alanine26607-51-269 % similar 2-(((Benzyloxy)carbonyl)amino)-2-hydroxyacetic acid56538-57-967 % similar (2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-266 % similar N-Cbz-D-leucine28862-79-563 % similar N-Carbobenzoxy-dl-leucine3588-60-163 % similar

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

Same formula

(S)-2-(((Benzyloxy)carbonyl)amino)-3-hydroxy-2-methylpropanoic acid114396-70-2 N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester1676-81-9 (2S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid40371-50-4

Elsewhere

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