ChemSpider 2D Image | (1R,8S,10S,12R)-4',4',11,11,14-Pentamethyl-4'H,15H-spiro[3,14-diazatetracyclo[6.5.2.0~1,10~.0~3,8~]pentadecane-12,8'-[1,4]dioxepino[2,3-g]indole]-9',15(10'H)-dione | C28H35N3O4

(1R,8S,10S,12R)-4',4',11,11,14-Pentamethyl-4'H,15H-spiro[3,14-diazatetracyclo[6.5.2.01,10.03,8]pentadecane-12,8'-[1,4]dioxepino[2,3-g]indole]-9',15(10'H)-dione

  • Molecular FormulaC28H35N3O4
  • Average mass477.595 Da
  • Monoisotopic mass477.262756 Da
  • ChemSpider ID111307120

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,8S,10S,12R)-4',4',11,11,14-Pentamethyl-4'H,15H-spiro[3,14-diazatetracyclo[6.5.2.01,10.03,8]pentadecane-12,8'-[1,4]dioxepino[2,3-g]indole]-9',15(10'H)-dione [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 23.84
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 198.14
ACD/KOC (pH 7.4): 1126.21
Polar Surface Area: 71 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 356.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement