1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol
Basic information
- CAS
2465-92-1- Standard SMILES
N#CCCOCC(OCCC#N)C(OCCC#N)C(OCCC#N)C(COCCC#N)OCCC#N- InChIKey
SIPCQLNTTKBLSF-UHFFFAOYSA-N- Molecular formula
- C24H32N6O6
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.23833276
Names & identifiers
- Preferred name
- 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol
- IUPAC
- 3-[2,3,4,5,6-pentakis(2-cyanoethoxy)hexoxy]propanenitrile
- English name
- 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol
- Molecular formula
- C24H32N6O6
- Molecular weight
- 500.54748
Names & synonyms
1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)hexitol2465-92-1EINECS 219-571-4NSC 89770DTXSID50947592RefChem:71254Hexitol, 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)-DTXCID501375849219-571-4NSC897701,2,3,4,5,6-Hexakis(2-cyanoethoxy)hexaneSCHEMBL3433549
Show more names
1,2,3,4,5,6-Hexakis-(cyanoethoxy)-hexane3-[2,3,4,5,6-pentakis(2-cyanoethoxy)hexoxy]propanenitrile
NSC-89770AKOS024429072NS000461551,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)hexitol #1,2,3,4,5,6-HEXAKIS-(2-CYANOETHOXY)HEXANE1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)-d-glucitol
Database identifiers
- CAS
2465-92-1- PubChem CID
- 98220
- DTXSID
DTXSID50947592- EC Number
- 219-571-4
- Nikkaji
- J216.106K
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 23
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 814
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 Information1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)hexitol: Does not have an individual approval but may be used under an appropriate group standard
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Related reactions
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Compound notes
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