ChemSpider 2D Image | (3aR,3bS,5aS,6S,10aS,10bR,10cR,11aR)-2,2-Dimethyl-3a,8,9,10,10a,10b,10c,11a-octahydro-3bH-spiro[1,3-dioxolo[4',5']furo[2',3':5,6]pyrano[4,3-a]pyrrolizine-6,3'-indole]-2',5(1'H,5aH)-dione | C22H24N2O6

(3aR,3bS,5aS,6S,10aS,10bR,10cR,11aR)-2,2-Dimethyl-3a,8,9,10,10a,10b,10c,11a-octahydro-3bH-spiro[1,3-dioxolo[4',5']furo[2',3':5,6]pyrano[4,3-a]pyrrolizine-6,3'-indole]-2',5(1'H,5aH)-dione

  • Molecular FormulaC22H24N2O6
  • Average mass412.436 Da
  • Monoisotopic mass412.163422 Da
  • ChemSpider ID30658402

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3aR,3bS,5aS,6S,10aS,10bR,10cR,11aR)-2,2-Dimethyl-3a,8,9,10,10a,10b,10c,11a-octahydro-3bH-spiro[1,3-dioxolo[4',5']furo[2',3':5,6]pyrano[4,3-a]pyrrolizine-6,3'-indole]-2',5(1'H,5aH)-dione [ACD/IUPAC Name]
Spiro[5H,6H-1,3-dioxolo[4',5']furo[2',3':5,6]pyrano[4,3-a]pyrrolizine-6,3'-[3H]indole]-2',5(1'H)-dione, 3a,3b,5a,8,9,10,10a,10b,10c,11a-decahydro-2,2-dimethyl-, (3aR,3bS,5aS,6S,10aS,10bR,10cR,11aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 632.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.1±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 129.52
ACD/KOC (pH 5.5): 1070.89
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.72
ACD/KOC (pH 7.4): 1295.84
Polar Surface Area: 86 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 275.6±5.0 cm3

Click to predict properties on the Chemicalize site


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