(3S,4S,5R,6S)-3,4-dihydroxy-5-methyl-6-pentyloxan-2-one
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Basic information
- CAS
765941-86-4- Standard SMILES
CCCCC[C@@H]1OC(=O)[C@@H](O)[C@@H](O)[C@H]1C- InChIKey
OMCZTCTZDDDQOL-XKNYDFJKSA-N- Molecular formula
- C11H20O4
- Average molar mass
- 216.27 g/mol
Names & identifiers
- Preferred name
- (3S,4S,5R,6S)-3,4-dihydroxy-5-methyl-6-pentyloxan-2-one
- IUPAC
- (3S,4S,5R,6S)-3,4-dihydroxy-5-methyl-6-pentyloxan-2-one
- English name
- 2H-Pyran-2-one, tetrahydro-3,4-dihydroxy-5-methyl-6-pentyl-, (3S,4S,5R,6S)- (9CI)
- Molecular formula
- C11H20O4
- Molecular weight
- 216.2741
Names & synonyms
2H-Pyran-2-one, tetrahydro-3,4-dihydroxy-5-methyl-6-pentyl-, (3S,4S,5R,6S)- (9CI)
Database identifiers
- CAS
765941-86-4- Nikkaji
- J2.095.586D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
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Compound notes
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