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Basic information
- Standard SMILES
CC(O)(C=CC1CC=CC(=O)O1)C(CC(O)C=CC=CC=CCO)OP(=O)(O)O- InChIKey
ZMQRJWIYMXZORG-UHFFFAOYSA-N- Molecular formula
- C19H27O9P
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.13926943
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, 5,6-dihydro-6-[3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraenyl]-, monosodiumsalt
- IUPAC
- [3,6,13-trihydroxy-3-methyl-1-(6-oxo-2,3-dihydropyran-2-yl)trideca-1,7,9,11-tetraen-4-yl] dihydrogen phosphate
Names & synonyms
SCHEMBL10738899AF1809412H-Pyran-2-one, 5,6-dihydro-6-[3,6,13-trihydroxy-3-methyl- 4-(phosphonooxy)-1,7,9,11-tridecatetraenyl]-, monosodiumsalt
Database identifiers
- PubChem CID
- 3422
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 719
Related reactions
1 records
Compound notes
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