ChemSpider 2D Image | (2S,4aS,6aS,6bR,7S,7aR,10R,11aS,12aR,13aS,13bR,15aS)-2-Amino-4a,6a,7,10-tetramethyldocosahydronaphtho[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol | C27H46N2O2

(2S,4aS,6aS,6bR,7S,7aR,10R,11aS,12aR,13aS,13bR,15aS)-2-Amino-4a,6a,7,10-tetramethyldocosahydronaphtho[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol

  • Molecular FormulaC27H46N2O2
  • Average mass430.666 Da
  • Monoisotopic mass430.355927 Da
  • ChemSpider ID24957273

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(2S,4aS,6aS,6bR,7S,7aR,10R,11aS,12aR,13aS,13bR,15aS)-2-Amino-4a,6a,7,10-tetramethyldocosahydronaphtho[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol [German] [ACD/IUPAC Name]
(2S,4aS,6aS,6bR,7S,7aR,10R,11aS,12aR,13aS,13bR,15aS)-2-Amino-4a,6a,7,10-tetramethyldocosahydronaphtho[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol [ACD/IUPAC Name]
(2S,4aS,6aS,6bR,7S,7aR,10R,11aS,12aR,13aS,13bR,15aS)-2-Amino-4a,6a,7,10-tétraméthyldocosahydronaphto[2'',1'':4',5']indéno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol [French] [ACD/IUPAC Name]
Naphth[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol, 2-aminodocosahydro-4a,6a,7,10-tetramethyl-, (2S,4aS,6aS,6bR,7S,7aR,10R,11aS,12aR,13aS,13bR,15aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 545.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 283.9±25.9 °C
Index of Refraction: 1.530
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 404.5±3.0 cm3

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