D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))-
Basic information
- CAS
125056-31-7- Standard SMILES
CCCCCCCCCCCCCCC(=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
PWSNRBFUCXJKEV-FOODAVFPSA-N- Molecular formula
- C49H94NO13P
- Average molar mass
- 936.2 g/mol
- Monoisotopic mass
- 935.64627905
Names & identifiers
- Preferred name
- D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))-
- 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] pentadecanoate
Names & synonyms
GLA-92125056-31-7D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))-D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) 3-[3-[(1-oxopentadecyl)oxy]tetradecanoate], [2(R),3(R)]-DTXSID70154589[(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] pentadecanoate2-Deoxy-2-[(3R)-3-hydroxytetradecanamido]-3-O-[(3R)-3-(pentadecanoyloxy)tetradecanoyl]-4-O-phosphono-beta-D-glucopyranose
Database identifiers
- CAS
125056-31-7- PubChem CID
- 452301
- DTXSID
DTXSID70154589
Properties
Computed structural properties
- XLogP
- 14
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 45
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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