D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxotridecyl)oxy)tetradecanoate), (2(R),3(R))-
Basic information
- CAS
125034-36-8- Standard SMILES
CCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](O)O[C@H](CO)[C@H]1OP(=O)(O)O- InChIKey
MAFLIHVUZMZHJT-LGWVHCHHSA-N- Molecular formula
- C47H90NO13P
- Average molar mass
- 908.2 g/mol
- Monoisotopic mass
- 907.61497892
Names & identifiers
- Preferred name
- D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxotridecyl)oxy)tetradecanoate), (2(R),3(R))-
- IUPAC
- [(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl] (3R)-3-tridecanoyloxytetradecanoate
Names & synonyms
GLA-91125034-36-8D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxotridecyl)oxy)tetradecanoate), (2(R),3(R))-D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) 3-[3-[(1-oxotridecyl)oxy]tetradecanoate], [2(R),3(R)]-DTXSID20154554[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl] (3R)-3-tridecanoyloxytetradecanoate2-Deoxy-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-3-O-[(3R)-3-(tridecanoyloxy)tetradecanoyl]-beta-D-glucopyranose
Database identifiers
- CAS
125034-36-8- PubChem CID
- 452299
- DTXSID
DTXSID20154554
Properties
Computed structural properties
- XLogP
- 13
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 43
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,170
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Compound notes
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