Glycovir
Basic information
- CAS
131262-82-3- Standard SMILES
CCCCN1C[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1COC(=O)CCC- InChIKey
MKGDNVHZSCXBKR-KYVQNOJUSA-N- Molecular formula
- C26H45NO8
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.31451739
Overview
Glycovir has been used in trials studying the treatment of HIV Infections.
Names & identifiers
- Preferred name
- Glycovir
- IUPAC
- [(2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-butylpiperidin-2-yl]methyl butanoate
- English name
- glycovir
- Molecular formula
- C26H45NO8
- Molecular weight
- 499.64
Names & synonyms
Glycovir131262-82-3NSC-670880QXJ91425UL[(2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-butylpiperidin-2-yl]methyl butanoateDTXSID10156986((2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-butylpiperidin-2-yl)methyl butanoateRefChem:143941DTXCID0079477SC-49483N-Butyl DNJ ProdrugSC-48334 Prodrug
Show more names
MKGDNVHZSCXBKR-KYVQNOJUSA-NButanoic acid, 1,1',1''-[(2R,3R,4R,5S)-1-butyl-2-[(1-oxobutoxy)methyl]-3,4,5-piperidinetriyl] ester
DRG-0193NSC 670880UNII-QXJ91425ULSC 49483NSC670880SC494831,5-(Butylimino)-1-5-dideoxy-D-glucitol tetrabutanoateorb2815060
Database identifiers
- CAS
131262-82-3- PubChem CID
- 60807
- DTXSID
DTXSID10156986- ChEMBL
CHEMBL4297283- UNII
- QXJ91425UL
- Nikkaji
- J555.142K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 20
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 668
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 524 · 524.0±43.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- solubility
- 0 · DMSO:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
- pka
- 4.08 · 4.08±0.10(Predicted)
- FDA UNII
- 91425 UL · QXJ91425UL
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Compound notes
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