(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane;propane-1,2,3-triol;prop-2-enenitrile;styrene
Basic information
- CAS
68650-94-2- Standard SMILES
C1CO1.C=CC#N.C=Cc1ccccc1.CC1CO1.OCC(O)CO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO- InChIKey
FDOZJYICWYNTAO-HPCKUQSRSA-N- Molecular formula
- C25H43NO11
- Average molar mass
- 533.6 g/mol
- Monoisotopic mass
- 533.28361119
Names & identifiers
- Preferred name
- (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane;propane-1,2,3-triol;prop-2-enenitrile;styrene
- IUPAC
- (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane;propane-1,2,3-triol;prop-2-enenitrile;styrene
- English name
- D-Glucitol, polymer with ethenylbenzene, methyloxirane, oxirane, 1,2,3-propanetriol and 2-propenenitrile
- Molecular formula
- C25H43NO11
- Molecular weight
- 533.60902
Names & synonyms
SCHEMBL25261556D-Glucitol, polymer with ethenylbenzene, methyloxirane, oxirane, 1,2,3-propanetriol and 2-propenenitrile
Database identifiers
- CAS
68650-94-2- PubChem CID
- 155134
Properties
Computed structural properties
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- EPA Substance Registry System
- 1 · D-Glucitol, polymer with ethenylbenzene, methyloxirane, oxirane, 1,2,3-propanetriol and 2-propenenitrile (68650-94-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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