3-[(3-{[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy}decanoyl)oxy]decanoic acid

Basic Information

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CAS Number

4348-76-9

Molecular Formula

C32H58O13

Molecular Weight

650.8 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)O)OC2C(C(C(C(O2)C)O)O)O

InChI

InChI=1S/C32H58O13/c1-5-7-9-11-13-15-21(17-23(33)34)43-24(35)18-22(16-14-12-10-8-6-2)44-32-30(28(39)26(37)20(4)42-32)45-31-29(40)27(38)25(36)19(3)41-31/h19-22,25-32,36-40H,5-18H2,1-4H3,(H,33,34)/t19-,20-,21?,22?,25-,26-,27+,28+,29+,30+,31-,32-/m0/s1

InChIKey

FCBUKWWQSZQDDI-SESCQDRSSA-N

LogP

2.5485000000000038

Topological Polar Surface Area

201.66999999999996 Å²

Hydrogen Bond Donor/Acceptor

6 / 13

Complexity

844

Synonyms & References

English

NSC178265
3-[(3-{[6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy}decanoyl)oxy]decanoic acid
Q7320168
SCHEMBL17907881
R-1
3-[3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxydecanoyloxy]decanoic acid
NSC-178265
4348-76-9
RHAMNOLIPID R-1
2-O-alpha-L-rhamnosyl-alpha-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid
Decanoic acid, 3-[[6-deoxy-2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.alpha.-L-mannopyranosyl]oxy]-, 1-(carboxymethyl)octyl ester
1-(carboxymethyl)octyl 3-[[6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]decanoate
DECANOIC ACID, 3-((6-DEOXY-2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.ALPHA.-L-MANNOPYRANOSYL)OXY)-, 1-(CARBOXYMETHYL)OCTYL ESTER
2-Rrhdhd
Rhamnolipid R2
4C5TAF9WV3
Rhamnolipid RL2
Rhamnolipid 1
3-[[6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]decanoic acid, 1-(carboxymethyl)octyl ester
DTXSID80884062
CHEBI:62570
HY-N10141
Decanoic acid,3-[[6-deoxy-2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-mannopyranosyl]oxy]-, 1-(carboxymethyl)octyl ester
Rhamnolipid R 1
2-O-rhamnopyranosyl-rhamnopyranosyl-3-hydroxyldecanoyl-3-hydroxydecanoate
Glycolipid B
Nsc178265
Rhamnolipid 2
Rhamnolipid R-1
Dirhamnolipid(2-o-alpha-l-rhamnopyranosyl-alpha-l-rhamnopyranosyl-beta-hydroxydecanoyl-beta-hydroxydecanoate)
Rhamnolipid BAC-3