Sugar lipid B from Pseudomonas sp.
Basic information
- CAS
61601-55-6- Standard SMILES
CCCCCCC/C=C/C(=O)OC1C(OC2C(OC(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O)OC(C)C(O)C2O)OC(C)C(O)C1O- InChIKey
PTDAXISVTVRQGK-YYDJUVGSSA-N- Molecular formula
- C42H74O14
- Average molar mass
- 803 g/mol
- Monoisotopic mass
- 802.50785703
Names & identifiers
- Preferred name
- Sugar lipid B from Pseudomonas sp.
- IUPAC
- 3-[3-[3-[3-[(E)-dec-2-enoyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid
Names & synonyms
Sugar lipid B from Pseudomonas sp.NSC28524661601-55-6DTXSID50420012NSC-285246PSEUDOMONAS SP., SUGAR LIPID B FROM3-({3-[(2-O-{2-O-[(2E)-Dec-2-enoyl]-6-deoxyhexopyranosyl}-6-deoxyhexopyranosyl)oxy]decanoyl}oxy)decanoic acid3-[3-[3-[3-[(E)-dec-2-enoyl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxydecanoyloxy]decanoic acidDecanoic acid, 3-[[6-deoxy-2-O-[6-deoxy-2-O-[(2E)-1-oxo-2-decenyl]hexopyranosyl]hexopyranosyl]oxy]-, 1-(carboxymethyl)octyl ester
Database identifiers
- CAS
61601-55-6- PubChem CID
- 5458568
- DTXSID
DTXSID50420012
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 31
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,120
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Compound notes
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