2,3,4,5,6-Pentahydroxy-hexanoic acid phenethyl-amide
Basic information
- CAS
1266248-52-5- Standard SMILES
O=C(NCCc1ccccc1)C(O)C(O)C(O)C(O)CO- InChIKey
XVYXITQHMRDBBG-UHFFFAOYSA-N- Molecular formula
- C14H21NO6
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.13688739
Names & identifiers
- Preferred name
- 2,3,4,5,6-Pentahydroxy-hexanoic acid phenethyl-amide
- IUPAC
- 2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
Names & synonyms
NSC206262,3,4,5,6-PENTAHYDROXY-HEXANOIC ACID PHENETHYL-AMIDENSC-20626AKOS024322791
Database identifiers
- CAS
1266248-52-5- PubChem CID
- 228045
- EC Number
- 118-776-5
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Suppliers
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Related reactions
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Compound notes
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