ChemSpider 2D Image | (3aR,5R,5aR,8aS,8bS)-2,2,7,7-Tetramethyl-N-{2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name) | C20H27N3O9S

(3aR,5R,5aR,8aS,8bS)-2,2,7,7-Tetramethyl-N-{2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)

  • Molecular FormulaC20H27N3O9S
  • Average mass485.508 Da
  • Monoisotopic mass485.146790 Da
  • ChemSpider ID62492057

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,5R,5aR,8aS,8bS)-2,2,7,7-Tetramethyl-N-{2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(3aR,5R,5aR,8aS,8bS)-2,2,7,7-Tetramethyl-N-{2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name) [ACD/IUPAC Name]
(3aR,5R,5aR,8aS,8bS)-2,2,7,7-Tétraméthyl-N-{2-oxo-2-[(4-sulfamoylphényl)amino]éthyl}tétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyrane-5-carboxamide (non-preferred name) [French] [ACD/IUPAC Name]

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: 1.559
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.19
ACD/KOC (pH 5.5): 170.35
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.17
ACD/KOC (pH 7.4): 169.93
Polar Surface Area: 173 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 353.5±3.0 cm3

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