ChemSpider 2D Image | 3,6,11',12b'-Tetramethyl-2',3',3a,4,4',4a',5,5',6,6',6a',6b',7,7',7a,8',10',12',12a',12b'-icosahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene] | C28H45NO

3,6,11',12b'-Tetramethyl-2',3',3a,4,4',4a',5,5',6,6',6a',6b',7,7',7a,8',10',12',12a',12b'-icosahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]

  • Molecular FormulaC28H45NO
  • Average mass411.663 Da
  • Monoisotopic mass411.350128 Da
  • ChemSpider ID24628236
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

3,6,11',12b'-Tetramethyl-2',3',3a,4,4',4a',5,5',6,6',6a',6b',7,7',7a,8',10',12',12a',12b'-icosahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene] [ACD/IUPAC Name]
Spiro[furo[3,2-b]pyridine-2(3H),9'(1'H)-naphth[2,1-a]azulene], 2',3',3a,4,4',4'a,5,5',6,6',6'a,6'b,7,7',7a,8',10',12',12'a,12'b-eicosahydro-3,6,11',12'b-tetramethyl- [ACD/Index Name]
(2S,3R,3aS,4a'S,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3,6,11',12b'-tetramethyl-2',3a,3',4,4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 518.8±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 233.5±17.6 °C
Index of Refraction: 1.555
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 696.74
ACD/KOC (pH 5.5): 507.48
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 4847.02
ACD/KOC (pH 7.4): 3530.41
Polar Surface Area: 21 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 386.6±5.0 cm3

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