ChemSpider 2D Image | 5-[(2R,2'R,4a'S,6'R,8a'S)-4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl]pentanoic acid | C28H39NO6

5-[(2R,2'R,4a'S,6'R,8a'S)-4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl]pentanoic acid

  • Molecular FormulaC28H39NO6
  • Average mass485.612 Da
  • Monoisotopic mass485.277740 Da
  • ChemSpider ID31128891

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-[(2R,2'R,4a'S,6'R,8a'S)-4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl]pentanoic acid [ACD/IUPAC Name]
Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalene]-7(3H)-pentanoic acid, 3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-, (2R,2'R,4'aS,6'R,8'aS)- [ACD/Index Name]
chartarlactam B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.3±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 103.42
ACD/KOC (pH 5.5): 536.42
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 8.42
Polar Surface Area: 107 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 372.8±5.0 cm3

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