Z-Glu-ome

C₁₄H₁₇NO₆CAS 5672-83-3295.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₁₄H₁₇NO₆
Molar mass: 295.29 g/mol
Exact mass: 295.1056 Da
logP: 1.32Crippen estimate
Polar surface area: 101.9 Å²
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

5672-83-3

SMILES

COC(=O)[C@H](CCC(=O)O)NC(=O)OCC1=CC=CC=C1

InChIKey

BGMCTGARFXPQML-NSHDSACASA-N

InChI

InChI=1S/C14H17NO6/c1-20-13(18)11(7-8-12(16)17)15-14(19)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,17)/t11-/m0/s1

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

Same formula

1H-Indol-3-yl beta-D-galactopyranoside126787-65-3 Z-D-Glu(ome)-oh27025-24-7 Z-Glu(ome)-oh4652-65-7 Indican487-60-5

Elsewhere

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