ChemSpider 2D Image | (3S,3'S,8a'R)-3'-(Hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-1,2,2',3',6',7',8',8a'-octahydro-5'H-spiro[indole-3,1'-indolizin]-5'-one | C23H26N2O4S

(3S,3'S,8a'R)-3'-(Hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-1,2,2',3',6',7',8',8a'-octahydro-5'H-spiro[indole-3,1'-indolizin]-5'-one

  • Molecular FormulaC23H26N2O4S
  • Average mass426.529 Da
  • Monoisotopic mass426.161316 Da
  • ChemSpider ID30651612

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,3'S,8a'R)-3'-(Hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-1,2,2',3',6',7',8',8a'-octahydro-5'H-spiro[indole-3,1'-indolizin]-5'-on [German] [ACD/IUPAC Name]
(3S,3'S,8a'R)-3'-(Hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-1,2,2',3',6',7',8',8a'-octahydro-5'H-spiro[indole-3,1'-indolizin]-5'-one [ACD/IUPAC Name]
(3S,3'S,8a'R)-3'-(Hydroxyméthyl)-1-[(4-méthylphényl)sulfonyl]-1,2,2',3',6',7',8',8a'-octahydro-5'H-spiro[indole-3,1'-indolizin]-5'-one [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(5'H)-indolizin]-5'-one, 1,2,2',3',6',7',8',8'a-octahydro-3'-(hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-, (3S,3'S,8a'R)- [ACD/Index 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: 645.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 344.0±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.70
ACD/KOC (pH 5.5): 261.15
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.70
ACD/KOC (pH 7.4): 261.15
Polar Surface Area: 86 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 300.2±5.0 cm3

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