Z-Glu-ome

C14H17NO6CAS 5672-83-3295.29 g/mol

Open in Covalent MOL file
OOOHONHOO
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

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 Indoxyl-beta-D-glucoside487-60-5

Elsewhere

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