Fmoc-D-threoninol

C₁₉H₂₁NO₄CAS 252049-02-8327.38 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₉H₂₁NO₄
Molar mass: 327.38 g/mol
Exact mass: 327.1471 Da
logP: 2.27Crippen estimate
Polar surface area: 78.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: S, 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

252049-02-8

SMILES

C[C@@H]([C@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O

InChIKey

YOKDHMTZJSRRIQ-SGTLLEGYSA-N

InChI

InChI=1S/C19H21NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,21-22H,10-11H2,1H3,(H,20,23)/t12-,18-/m0/s1

Weigh it out

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

Work with Fmoc-D-threoninol

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.

N-Fmoc-L-threonol176380-53-3Enantiomer

Similar compounds

Fmoc-L-alaninol161529-13-170 % similar Fmoc-thr(tbu)-ol189337-28-868 % similar (2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-267 % similar Fmoc-L-leucinol139551-83-065 % similar Fmoc-D-ser-oh116861-26-861 % similar Fmoc-phenylalaninol129397-83-761 % similar Fmoc-L-serine73724-45-561 % similar Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester120791-76-661 % similar

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

Same formula

Stepholidine16562-13-3 Boldine476-70-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook