(3aR,4S,6aR)-2,3a,4-trihydroxy-3-prop-2-enyl-4,5,6,6a-tetrahydropentalen-1-one
Basic information
- CAS
652133-04-5- Standard SMILES
C=CCC1=C(O)C(=O)[C@@H]2CC[C@H](O)[C@]12O- InChIKey
XDOSKIPOXKQCPH-LAEOZQHASA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
Names & identifiers
- Preferred name
- (3aR,4S,6aR)-2,3a,4-trihydroxy-3-prop-2-enyl-4,5,6,6a-tetrahydropentalen-1-one
- IUPAC
- (3aR,4S,6aR)-2,3a,4-trihydroxy-3-prop-2-enyl-4,5,6,6a-tetrahydropentalen-1-one
- English name
- 1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-2,3a,4-trihydroxy-3-(2-propenyl)-, (3aR,4S,6aR)- (9CI)
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
(3aR,4S,6aR)-2,3a,4-trihydroxy-3-prop-2-enyl-4,5,6,6a-tetrahydropentalen-1-one1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-2,3a,4-trihydroxy-3-(2-propen-1-yl)-, (3aR,4S,6aR)-1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-2,3a,4-trihydroxy-3-(2-propenyl)-, (3aR,4S,6aR)- (9CI)
Database identifiers
- CAS
652133-04-5- Nikkaji
- J1.977.699I
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…