Glucose aldonitrile pentaacetate
Basic information
- CAS
40732-44-3- Standard SMILES
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C#N)OC(C)=O- InChIKey
INCBLRCTSZYSJE-UHFFFAOYSA-N- Molecular formula
- C16H21NO10
- Average molar mass
- 387.34 g/mol
- Monoisotopic mass
- 387.11654587
Overview
2,3-di(acetyloxy)-3-cyano-1-[1,2-di(acetyloxy)ethyl]propyl acetate is an organooxygen compound. It is functionally related to a hexacarboxylic acid.
Names & identifiers
- Preferred name
- Glucose aldonitrile pentaacetate
- IUPAC
- (2,3,4,5-tetraacetyloxy-5-cyanopentyl) acetate
Names & synonyms
Glucose aldonitrile pentaacetate6272-51-1RefChem:1436302,3,4,5,6-PENTA-O-ACETYL-D-GALACTONITRILEGalactonitrile, pentaacetate(2,3,4,5-tetraacetyloxy-5-cyanopentyl) acetateNSC37846D-Glucononitrile, 2,3,4,5,6-pentaacetate2,3,4,5,6-PENTA-O-ACETYL-D-GALACTONONITRILE2,3-di(acetyloxy)-3-cyano-1-[1,2-di(acetyloxy)ethyl]propyl acetateCHEBI:2286356337-12-8
Show more names
NSC17559NSC39369NSC 37846NSC-17559NSC-37846NSC-39369D-Allose, aldononitrile, pentaacetateMP05242
Database identifiers
- CAS
40732-44-3、6272-51-1、6337-12-8- PubChem CID
- 226786
- ChEBI
CHEBI:228635- Nikkaji
- J1.267.696D
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 634
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationD-Glucononitrile, 2,3,4,5,6-pentaacetate: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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