ChemSpider 2D Image | N-{[(3aS,5aR,8aR,8bS)-2,2-Dimethyltetrahydro-3aH-spiro[bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7,1'-cyclohexan]-3a-yl]methyl}sulfuric diamide | C15H26N2O7S

N-{[(3aS,5aR,8aR,8bS)-2,2-Dimethyltetrahydro-3aH-spiro[bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7,1'-cyclohexan]-3a-yl]methyl}sulfuric diamide

  • Molecular FormulaC15H26N2O7S
  • Average mass378.441 Da
  • Monoisotopic mass378.146057 Da
  • ChemSpider ID23317538

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-{[(3aS,5aR,8aR,8bS)-2,2-Dimethyltetrahydro-3aH-spiro[bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7,1'-cyclohexan]-3a-yl]methyl}sulfuric diamide [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL264966/
N-[(1'S,2'R,6'R,9'S)-11',11'-dimethyl-3',5',8',10',12'-pentaoxaspiro[cyclohexane-1,4'-tricyclo[7.3.0.02,6]dodecane]-9'-ylmethyl]aminosulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 523.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.2±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.87
ACD/KOC (pH 5.5): 423.97
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.86
ACD/KOC (pH 7.4): 423.81
Polar Surface Area: 127 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 265.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement