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.

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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

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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 (S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butyric acid40371-50-4

Elsewhere

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