Basic information
- CAS
99769-59-2- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)C(OC(C)=O)C(OC(C)=O)C(=O)O- InChIKey
BSNLCQCLNQFWST-UHFFFAOYSA-N- Molecular formula
- C29H50O11
- Average molar mass
- 574.7 g/mol
- Monoisotopic mass
- 574.33531241
Names & identifiers
- Preferred name
- 2,3-Bis(acetyloxy)-4-{[1-hydroxy-3-(octadecanoyloxy)propan-2-yl]oxy}-4-oxobutanoic acid
- IUPAC
- 2,3-diacetyloxy-4-(1-hydroxy-3-octadecanoyloxypropan-2-yl)oxy-4-oxobutanoic acid
- English name
- [1-(hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl] hydrogen 2,3-diacetoxysuccinate
- Molecular formula
- C29H50O11
- Molecular weight
- 574.7007
Names & synonyms
99769-59-2Butanedioic acid, 2,3-bis(acetyloxy)-, 1-[1-(hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl] ester2,3-bis(acetyloxy)-4-{[1-hydroxy-3-(octadecanoyloxy)propan-2-yl]oxy}-4-oxobutanoic acidEINECS 309-036-4DTXSID90912481BSNLCQCLNQFWST-UHFFFAOYSA-N(1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl) hydrogen 2,3-diacetoxysuccinateNS00065679[1-(Hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl]hydrogen 2,3-diacetoxysuccinate[1-(hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl] hydrogen 2,3-diacetoxysuccinate2,3-diacetyloxy-4-(1-hydroxy-3-octadecanoyloxypropan-2-yl)oxy-4-oxobutanoic acid2,3-Bis(acetyloxy)butanedioic acid hydrogen 1-[1-(hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl] ester
Database identifiers
- CAS
99769-59-2- PubChem CID
- 113530
- DTXSID
DTXSID90912481- EC Number
- 309-036-4
- Nikkaji
- J333.770G
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 29
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 737
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…