Boc-O-benzyl-D-threoninol

C₁₆H₂₅NO₄CAS 168034-31-9295.38 g/mol

Open in Covalent MOL file

Alcohol Carbamate Ether

Properties

Molecular formula: C₁₆H₂₅NO₄
Molar mass: 295.38 g/mol
Exact mass: 295.1784 Da
logP: 2.48Crippen estimate
Polar surface area: 67.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
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

168034-31-9

SMILES

C[C@@H]([C@H](CO)NC(=O)OC(C)(C)C)OCC1=CC=CC=C1

InChIKey

RXDBGDZAKNELGW-JSGCOSHPSA-N

InChI

InChI=1S/C16H25NO4/c1-12(20-11-13-8-6-5-7-9-13)14(10-18)17-15(19)21-16(2,3)4/h5-9,12,14,18H,10-11H2,1-4H3,(H,17,19)/t12-,14-/m0/s1

Weigh it out

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Names and synonyms

1 names

tert-Butyl ((2S,3S)-3-(benzyloxy)-1-hydroxybutan-2-yl)carbamate

Work with Boc-O-benzyl-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.

tert-Butyl ((2R,3R)-3-(benzyloxy)-1-hydroxybutan-2-yl)carbamate133565-43-2Enantiomer

Similar compounds

N-Boc-(S)-2-amino-3-benzyloxy-1-propanol79069-15-165 % similar N-Boc-beta-phenyl-L-phenylalaninol155836-47-864 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-762 % similar N-Boc-DL-phenylalaninol145149-48-062 % similar tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-062 % similar Boc-D-ser-obzl141527-78-861 % similar Boc-L-phenylglycinol117049-14-657 % similar Lcz696 intemediate1426129-50-156 % similar

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

Same formula

N-Phenylaza-15-crown-566750-10-5 Esmolol81147-92-4 Di-(tert-butyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate94461-44-6

Elsewhere

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