ChemSpider 2D Image | (3aR,4S,4aS,20aS,21S,21aS)-4,21-Bis(benzyloxy)-2,2-dimethylhexadecahydro[1,3]dioxolo[4,5-s][1,4,7,10,13,16]benzohexaoxacyclooctadecine | C33H46O10

(3aR,4S,4aS,20aS,21S,21aS)-4,21-Bis(benzyloxy)-2,2-dimethylhexadecahydro[1,3]dioxolo[4,5-s][1,4,7,10,13,16]benzohexaoxacyclooctadecine

  • Molecular FormulaC33H46O10
  • Average mass602.712 Da
  • Monoisotopic mass602.309082 Da
  • ChemSpider ID9170811

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aR,4S,4aS,20aS,21S,21aS)-4,21-Bis(benzyloxy)-2,2-dimethylhexadecahydro[1,3]dioxolo[4,5-s][1,4,7,10,13,16]benzohexaoxacyclooctadecin [German] [ACD/IUPAC Name]
(3aR,4S,4aS,20aS,21S,21aS)-4,21-Bis(benzyloxy)-2,2-dimethylhexadecahydro[1,3]dioxolo[4,5-s][1,4,7,10,13,16]benzohexaoxacyclooctadecine [ACD/IUPAC Name]
(3aR,4S,4aS,20aS,21S,21aS)-4,21-Bis(benzyloxy)-2,2-diméthylhexadécahydro[1,3]dioxolo[4,5-s][1,4,7,10,13,16]benzohexaoxacyclooctadécine [French] [ACD/IUPAC Name]
1,3-Dioxolo[4,5-s][1,4,7,10,13,16]benzohexaoxacyclooctadecin, hexadecahydro-2,2-dimethyl-4,21-bis(phenylmethoxy)-, (3aR,4S,4aS,20aS,21S,21aS)- [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: 699.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 262.7±31.4 °C
Index of Refraction: 1.554
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 776.62
ACD/KOC (pH 5.5): 4077.66
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 776.62
ACD/KOC (pH 7.4): 4077.66
Polar Surface Area: 92 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 498.6±5.0 cm3

Click to predict properties on the Chemicalize site


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