ChemSpider 2D Image | (3aS,4S,7aS)-4-(Diphenylmethyl)-1-[(4-methylphenyl)sulfonyl]octahydropyrano[4,3-b]pyrrole | C27H29NO3S

(3aS,4S,7aS)-4-(Diphenylmethyl)-1-[(4-methylphenyl)sulfonyl]octahydropyrano[4,3-b]pyrrole

  • Molecular FormulaC27H29NO3S
  • Average mass447.589 Da
  • Monoisotopic mass447.186829 Da
  • ChemSpider ID30659163

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,4S,7aS)-4-(Diphenylmethyl)-1-[(4-methylphenyl)sulfonyl]octahydropyrano[4,3-b]pyrrol [German] [ACD/IUPAC Name]
(3aS,4S,7aS)-4-(Diphenylmethyl)-1-[(4-methylphenyl)sulfonyl]octahydropyrano[4,3-b]pyrrole [ACD/IUPAC Name]
(3aS,4S,7aS)-4-(Diphénylméthyl)-1-[(4-méthylphényl)sulfonyl]octahydropyrano[4,3-b]pyrrole [French] [ACD/IUPAC Name]
Pyrano[4,3-b]pyrrole, 4-(diphenylmethyl)octahydro-1-[(4-methylphenyl)sulfonyl]-, (3aS,4S,7aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.4±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7767.73
ACD/KOC (pH 5.5): 21196.44
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7767.73
ACD/KOC (pH 7.4): 21196.44
Polar Surface Area: 55 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 368.5±3.0 cm3

Click to predict properties on the Chemicalize site


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