Methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranuronate

HCID 95087CAS 7355-18-2
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
DPOQCELSZBSZGX-XOBFJNJYSA-N
Molecular formula
C15H20O11
Average molar mass
376.31 g/mol
Monoisotopic mass
376.10056146

Names & identifiers

Preferred name
Methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranuronate
IUPAC
methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate

Names & synonyms

Methyl 1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranuronatebeta-D-Glucopyranuronic acid, methyl ester, tetraacetateDTXSID501224723RefChem:812456.beta.-D-Glucopyranuronic acid, methyl ester, tetraacetateDTXCID4016559897355-18-2(2S,3R,4S,5S,6S)-6-(methoxycarbonyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetateMethyl 1,2,3,4-tetra-O-acetyl-beta-D-glucuronateMFCD00069834methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylateC15H20O11
Show more names
Methyl O-tetraacetyl-beta-D-glucopyranuronateMethyl tetra-O-acetyl-|A-D-glucopyranuronateMethyl 1234-tetra-O-acetyl-beta-D-glucuronateMethyl 1,2,3,4-tetra-O-acetyl-|A-D-glucuronate1,2,3,4-Tetra-o-acetyl-ss-D-glucopyranuronateMethyl 1,2,3,4-tetra-O-acetyl-?-D-glucopyranuronate1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranuronic Acid Methyl Ester1,2,3,4-Tetra-O-acetyl-b-D-glucuronic Acid Methyl Ester

Database identifiers

CAS
7355-18-2
PubChem CID
95087
DTXSID
DTXSID501224723
ChEMBL
CHEMBL490224
EC Number
230-880-3
Nikkaji
J212.351G

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
141 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
10
Heavy atoms
26

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information.beta.-D-Glucopyranuronic acid, methyl ester, tetraacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified

Related reactions

1 records
New reaction record

Linked notes

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