(E)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
Basic information
- CAS
121025-47-6- Standard SMILES
CCCCCCC(O)CCCCCC/C=C/C(O)C(O)C(O)C(NC(C)=O)C(=O)O- InChIKey
VKFZVQCKAPPEFZ-RXCFHPIVSA-N- Molecular formula
- C22H41NO7
- Average molar mass
- 431.6 g/mol
- Monoisotopic mass
- 431.28830265
Names & identifiers
- Preferred name
- (E)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
- IUPAC
- (E)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
- English name
- Sphingofungin D
- Molecular formula
- C22H41NO7
- Molecular weight
- 431.56
Names & synonyms
(E)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acidSCHEMBL9460067Sphingofungin D6-Eicosenoic acid, 2-(acetylamino)-3,4,5,14-tetrahydroxy-, (2S,3R,4R,5S,6E,14R)-
Database identifiers
- CAS
121025-47-6- PubChem CID
- 6439079
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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