ChemSpider 2D Image | 5-Hydroxy-4-{2-[(1R,2S,4S,4aS,8aS)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone | C20H30O5

5-Hydroxy-4-{2-[(1R,2S,4S,4aS,8aS)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID34500350

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2(5H)-Furanone, 5-hydroxy-4-[2-[(1R,2S,4S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]- [ACD/Index Name]
5-Hydroxy-4-{2-[(1R,2S,4S,4aS,8aS)-4-hydroxy-5-(hydroxyméthyl)-1,2,4a-triméthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalényl]éthyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
5-Hydroxy-4-{2-[(1R,2S,4S,4aS,8aS)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone [ACD/IUPAC Name]
5-Hydroxy-4-{2-[(1R,2S,4S,4aS,8aS)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalinyl]ethyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
[1017233-48-5] [RN]
1017233-48-5 [RN]
6?,16,18-Trihydroxycleroda -3,13-dien-15,16-olide
6α,16,18-Trihydroxycleroda-3,13-dien-15,16-olide
MFCD23103563

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 197.2±23.6 °C
Index of Refraction: 1.548
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.26
ACD/KOC (pH 5.5): 278.36
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.22
ACD/KOC (pH 7.4): 277.68
Polar Surface Area: 87 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 296.6±3.0 cm3

Click to predict properties on the Chemicalize site


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