ChemSpider 2D Image | N-[(2S,3R,3'R,3aR,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-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]azulen]-3'-yl]methanesulfonamide | C29H48N2O3S

N-[(2S,3R,3'R,3aR,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-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]azulen]-3'-yl]methanesulfonamide

  • Molecular FormulaC29H48N2O3S
  • Average mass504.768 Da
  • Monoisotopic mass504.338562 Da
  • ChemSpider ID26353073
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

Methanesulfonamide, N-[(2S,3R,3'R,3aR,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-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-tetramethylspiro[furo[3,2-b]pyridine- 2(3H),9'(1'H)-naphth[2,1-a]azulen]-3'-yl]- [ACD/Index Name]
N-[(2S,3R,3'R,3aR,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-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]azulen]-3'-yl]methanesulfonamide [ACD/IUPAC Name]

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

IPI-926 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.4±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 19.96
ACD/KOC (pH 5.5): 39.92
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 140.83
ACD/KOC (pH 7.4): 281.68
Polar Surface Area: 76 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 429.7±5.0 cm3

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