ChemSpider 2D Image | (3aR,4R,7R,7aR)-5-{[4-(2-Butyn-1-yloxy)phenyl]sulfonyl}-N,7-dihydroxy-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridine-4-carboxamide | C19H24N2O8S

(3aR,4R,7R,7aR)-5-{[4-(2-Butyn-1-yloxy)phenyl]sulfonyl}-N,7-dihydroxy-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridine-4-carboxamide

  • Molecular FormulaC19H24N2O8S
  • Average mass440.467 Da
  • Monoisotopic mass440.125336 Da
  • ChemSpider ID23135537

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3aR,4R,7R,7aR)-5-{[4-(2-Butin-1-yloxy)phenyl]sulfonyl}-N,7-dihydroxy-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridin-4-carboxamid [German] [ACD/IUPAC Name]
(3aR,4R,7R,7aR)-5-{[4-(2-Butyn-1-yloxy)phenyl]sulfonyl}-N,7-dihydroxy-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridine-4-carboxamide [ACD/IUPAC Name]
(3aR,4R,7R,7aR)-5-{[4-(2-Butyn-1-yloxy)phényl]sulfonyl}-N,7-dihydroxy-2,2-diméthylhexahydro[1,3]dioxolo[4,5-c]pyridine-4-carboxamide [French] [ACD/IUPAC Name]
(3aR,4R,7R,7aR)-5-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-N,7-dihydroxy-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
1,3-Dioxolo[4,5-c]pyridine-4-carboxamide, 5-[[4-(2-butyn-1-yloxy)phenyl]sulfonyl]hexahydro-N,7-dihydroxy-2,2-dimethyl-, (3aR,4R,7R,7aR)- [ACD/Index Name]
(3aR,4R,7R,7aR)-5-(4-But-2-ynyloxy-benzenesulfonyl)-7-hydroxy-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyridine-4-carboxylic acid hydroxyamide
CHEMBL288843
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL288843/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.51
ACD/KOC (pH 5.5): 259.02
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.25
ACD/KOC (pH 7.4): 254.85
Polar Surface Area: 143 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 314.4±3.0 cm3

Click to predict properties on the Chemicalize site


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