ChemSpider 2D Image | (2R,2'S,5'R,6'S,8a'S)-5-(2-Hydroxyethyl)-5,5'-bis(hydroxymethyl)-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalen]-6'-ol | C20H36O5

(2R,2'S,5'R,6'S,8a'S)-5-(2-Hydroxyethyl)-5,5'-bis(hydroxymethyl)-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalen]-6'-ol

  • Molecular FormulaC20H36O5
  • Average mass356.497 Da
  • Monoisotopic mass356.256287 Da
  • ChemSpider ID22883624
  • defined stereocentres - 5 of 7 defined stereocentres


More details:






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

(2R,2'S,5'R,6'S,8a'S)-5-(2-Hydroxyethyl)-5,5'-bis(hydroxymethyl)-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalen]-6'-ol [German] [ACD/IUPAC Name]
(2R,2'S,5'R,6'S,8a'S)-5-(2-Hydroxyethyl)-5,5'-bis(hydroxymethyl)-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalen]-6'-ol [ACD/IUPAC Name]
(2R,2'S,5'R,6'S,8a'S)-5-(2-Hydroxyéthyl)-5,5'-bis(hydroxyméthyl)-2',5',8a'-triméthyldécahydro-2'H,3H-spiro[furan-2,1'-naphthalen]-6'-ol [French] [ACD/IUPAC Name]
Spiro[furan-2(3H),1'(2'H)-naphthalene]-5,5'-dimethanol, decahydro-6'-hydroxy-5-(2-hydroxyethyl)-2',5',8'a-trimethyl-, (2R,2'S,5'R,6'S,8'aS)- [ACD/Index Name]
(1R,2S,4AS,5R,6S)-2'-(2-HYDROXYETHYL)-1,2'-BIS(HYDROXYMETHYL)-1,4A,6-TRIMETHYLSPIRO[3,4,6,7,8,8A-HEXAHYDRO-2H-NAPHTHALENE-5,5'-OXOLANE]-2-OL
(1R,2S,4aS,5R,6S)-5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol
1212488-81-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 518.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 267.2±25.9 °C
Index of Refraction: 1.555
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.64
ACD/KOC (pH 5.5): 225.94
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.64
ACD/KOC (pH 7.4): 225.94
Polar Surface Area: 90 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 300.2±5.0 cm3

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