Basic information
- CAS
125034-35-7- Standard SMILES
CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCC)[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1O- InChIKey
HBJRCOCXOSSPRA-MHMGBNDDSA-N- Molecular formula
- C45H86NO13P
- Average molar mass
- 880.1 g/mol
- Monoisotopic mass
- 879.5836788
Names & identifiers
- Preferred name
- D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxoundecyl)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-undecanoyloxytetradecanoate
Names & synonyms
GLA-90125034-35-7D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxoundecyl)oxy)tetradecanoate), (2(R),3(R))-D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) 3-[3-[(1-oxoundecyl)oxy]tetradecanoate], [2(R),3(R)]-DTXSID60154553[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl] (3R)-3-undecanoyloxytetradecanoate2-Deoxy-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-3-O-[(3R)-3-(undecanoyloxy)tetradecanoyl]-beta-D-glucopyranose
Database identifiers
- CAS
125034-35-7- PubChem CID
- 452297
- DTXSID
DTXSID60154553
Properties
Computed structural properties
- XLogP
- 11.9
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 41
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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