D-Glucose, 2-deoxy-2-(((3R)-3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-((3R)-3-((1-oxohexadecyl)oxy)tetradecanoate)
Basic information
- CAS
117639-50-6- Standard SMILES
CCCCCCCCCCCCCCCC(=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
GSXWIWCWJJPWTG-NWHLJVKFSA-N- Molecular formula
- C50H96NO13P
- Average molar mass
- 950.3 g/mol
- Monoisotopic mass
- 949.66192911
Names & identifiers
- Preferred name
- D-Glucose, 2-deoxy-2-(((3R)-3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-((3R)-3-((1-oxohexadecyl)oxy)tetradecanoate)
- IUPAC
- [(3R)-1-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl]oxy-1-oxotetradecan-3-yl] hexadecanoate
Names & synonyms
GLA-64117639-50-6D-Glucose, 2-deoxy-2-(((3R)-3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-((3R)-3-((1-oxohexadecyl)oxy)tetradecanoate)D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxohexadecyl)oxy)tetradecanoate), (2(R),3(R))-D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) 3-[3-[(1-oxohexadecyl)oxy]tetradecanoate], [2(R),3(R)]-D-Glucose, 2-deoxy-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 4-(dihydrogen phosphate) 3-[(3R)-3-[(1-oxohexadecyl)oxy]tetradecanoate]DTXSID90151853[(1R)-1-[2-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl]oxy-2-oxo-ethyl]dodecyl] hexadecanoate2-Deoxy-3-O-[(3R)-3-(hexadecanoyloxy)tetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranose
Database identifiers
- CAS
117639-50-6- PubChem CID
- 452302
- DTXSID
DTXSID90151853
Properties
Computed structural properties
- XLogP
- 14.6
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 46
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,220
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Compound notes
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