Phomenoic acid
Basic information
- CAS
83652-15-7- Standard SMILES
CCC(C)CC(C)CC(C)/C=C(/C=C(\C)C(O)C(C)/C=C/C(O)C/C=C/C(O)C/C=C/C(O)CC(O)CC(=O)O)CO- InChIKey
YGKCSBFCFFDFJJ-UHFFFAOYSA-N- Molecular formula
- C34H58O8
- Average molar mass
- 594.8 g/mol
- Monoisotopic mass
- 594.4131688
Overview
RN given from CA Index Guide 1986; RN not in Chemline 7/87; structure given in first source
Names & identifiers
- Preferred name
- Phomenoic acid
- IUPAC
- (6E,10E,14E,18E,20Z)-3,5,9,13,17-pentahydroxy-20-(hydroxymethyl)-16,18,22,24,26-pentamethyloctacosa-6,10,14,18,20-pentaenoic acid
- English name
- Phomenoic acid
- Molecular formula
- C34H58O8
- Molecular weight
- 594.82
Names & synonyms
Phomenoic acid83652-15-7RefChem:929118(6E,10E,14E,18E,20Z)-3,5,9,13,17-pentahydroxy-20-(hydroxymethyl)-16,18,22,24,26-pentamethyloctacosa-6,10,14,18,20-pentaenoic acidPhomenoic acid_1300626,10,14,18,20-Octacosapentaenoic acid, 3,5,9,13,17-pentahydroxy-20-(hydroxymethyl)-16,18,22,24,26-pentamethyl-
Database identifiers
- CAS
83652-15-7- PubChem CID
- 6439664
- Nikkaji
- J717.036J
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 22
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 890
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…