Basic information
- CAS
101653-96-7- Standard SMILES
CCCCCCC(CCC(CCCCC)CNC(=O)O)(COS(=O)(=O)[O-])NC(=O)O.[Na+]- InChIKey
LLEYDEJIRWBRHL-UHFFFAOYSA-M- Molecular formula
- C19H37N2NaO8S
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.2168316
Overview
phospholipase A2 substrate analog; RN given for Na salt from first source; RN not in Chemline 7/86; structure given in first source
Names & identifiers
- Preferred name
- 1,2-Bis(heptanylcarbamoyl)glycerol 3-sulfate
- IUPAC
- sodium [2-(carboxyamino)-5-[(carboxyamino)methyl]-2-hexyldecyl] sulfate
Names & synonyms
Dic7-dicarbamoyl-GS1,2-Bis(heptanylcarbamoyl)glycerol 3-sulfate101653-96-7RefChem:71737
Database identifiers
- CAS
101653-96-7- PubChem CID
- 23669331
Properties
Computed structural properties
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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