Rhamnolipid R-1
Basic information
- CAS
4348-76-9- Standard SMILES
CCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O- InChIKey
FCBUKWWQSZQDDI-UHFFFAOYSA-N- Molecular formula
- C32H58O13
- Average molar mass
- 650.8 g/mol
- Monoisotopic mass
- 650.3877419
Names & identifiers
- Preferred name
- Rhamnolipid R-1
- IUPAC
- 3-[3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoyloxy]decanoic acid
- English name
- 2-O-rhamnopyranosyl-rhamnopyranosyl-3-hydroxyldecanoyl-3-hydroxydecanoate
- Molecular formula
- C32H58O13
- Molecular weight
- 650.8
Names & synonyms
RHAMNOLIPID R-1NSC178265Rhamnolipid R 1Rhamnolipids C8-C8SCHEMBL374171CHEMBL1999658R-1DR1803643-((3-((4,5-dihydroxy-6-methyl-3-((3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)tetrahydro-2h-pyran-2yl)oxy)decanoyl)oxy)decanoic acidGlycolipid BRhamnolipid 2Rhamnolipid RL2
Show more names
Rhamnolipids C10Rhamnolipids C12Rhamnolipids C14
Database identifiers
- CAS
4348-76-9- PubChem CID
- 425975
- ChEMBL
CHEMBL1999658
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 22
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 844
Physicochemical properties
- Boiling point
- 798.8 · 798.8±60.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 3.96 · 3.96±0.10(Predicted)
- FDA UNII
- 4 C5TAF9WV3 · 4C5TAF9WV3
- EPA Substance Registry System
- 3 · Decanoic acid, 3-[[6-deoxy-2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.alpha.-L-mannopyranosyl]oxy]-, 1-(carboxymethyl)octyl ester (4348-76-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Additional notes
DefinitionChEBI: A glycolipid, an alpha-L-rhamnosyl-alpha-L-rhamnoside of 3-[(3-hydroxydecanoyl)oxy]decanoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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