D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) 3-[3-(acetyloxy)tetradecanoate], [2(R),3(R)]-
Basic information
- CAS
125034-33-5- Standard SMILES
CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(C)=O)[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1O- InChIKey
YJVJDHHUSFFAQO-NDZURMGVSA-N- Molecular formula
- C36H68NO13P
- Average molar mass
- 753.9 g/mol
- Monoisotopic mass
- 753.44282822
Names & identifiers
- Preferred name
- D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) 3-[3-(acetyloxy)tetradecanoate], [2(R),3(R)]-
- IUPAC
- [(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl] (3S)-3-acetyloxytetradecanoate
Names & synonyms
GLA-87125034-33-5D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-(acetyloxy)tetradecanoate), (2(R),3(R))-DTXSID40154551D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) 3-[3-(acetyloxy)tetradecanoate], [2(R),3(R)]-RefChem:130597DTXCID7077042[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl] (3S)-3-acetoxytetradecanoate3-O-[(3S)-3-(Acetyloxy)tetradecanoyl]-2-deoxy-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranose
Database identifiers
- CAS
125034-33-5- PubChem CID
- 452287
- DTXSID
DTXSID40154551
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 32
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 996
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Compound notes
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