chempirical

Z-Glu(ome)-oh

C14H17NO6CAS 4652-65-7295.29 g/mol

Open in Covalent MOL file
OOOOHNHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C14H17NO6
Molar mass
295.29 g/mol
Exact mass
295.1056 Da
logP
1.32Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
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
4652-65-7
SMILES
COC(=O)CC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChIKey
JSNVOAWDAFVIKY-NSHDSACASA-N
InChI
InChI=1S/C14H17NO6/c1-20-12(16)8-7-11(13(17)18)15-14(19)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,17,18)/t11-/m0/s1

Weigh it out

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

Work with Z-Glu(ome)-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-D-Glu(ome)-oh27025-24-7Enantiomer

Similar compounds

(2S)-2-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid3160-47-280 % similar Z-D-Glu(otbu)-oh51644-83-875 % similar Z-D-Glu-oh63648-73-772 % similar Z-D-Gln-oh13139-52-171 % similar N-Carbobenzoxy-dl-norleucine15027-13-171 % similar Z-D-Nva-oh42918-89-870 % similar Boc-D-glutamic acid 5-benzyl ester35793-73-869 % similar N-Alpha-Benzyloxycarbonyl-L-ornithine2640-58-667 % similar

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

Same formula

1H-Indol-3-yl beta-D-galactopyranoside126787-65-3 Indican487-60-5 Z-Glu-ome5672-83-3

Elsewhere

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