ChemSpider 2D Image | (2R,2'R,6'R,8a'S)-4,6'-Dihydroxy-7-(2-hydroxyethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7,7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6(3H)-one | C25H35NO5

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

  • Molecular FormulaC25H35NO5
  • Average mass429.549 Da
  • Monoisotopic mass429.251526 Da
  • ChemSpider ID22842337

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R,2'R,6'R,8a'S)-4,6'-Dihydroxy-7-(2-hydroxyethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7,7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6(3H)-one [ACD/IUPAC Name]
Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-6(3H)-one, 3',4',4'a,5',6',7,7',8,8',8'a-decahydro-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-, (2R,2'R,6'R,8a'S)- [ACD/Index 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: 645.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 344.1±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 116.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 201.63
ACD/KOC (pH 5.5): 1553.12
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 200.42
ACD/KOC (pH 7.4): 1543.75
Polar Surface Area: 90 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 327.6±5.0 cm3

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