ChemSpider 2D Image | (2''S,3S,4a''R,5'S,5''R,6''R,8a''R)-5''-(Hydroxymethyl)-2'',5'',8a''-trimethyldodecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-ol | C20H34O4

(2''S,3S,4a''R,5'S,5''R,6''R,8a''R)-5''-(Hydroxymethyl)-2'',5'',8a''-trimethyldodecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-ol

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID23258592

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2''S,3S,4a''R,5'S,5''R,6''R,8a''R)-5''-(Hydroxymethyl)-2'',5'',8a''-trimethyldodecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-ol [ACD/IUPAC Name]
(2''S,3S,4a''R,5'S,5''R,6''R,8a''R)-5''-(Hydroxymethyl)-2'',5'',8a''-trimethyldodecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-ol [German] [ACD/IUPAC Name]
(2''S,3S,4a''R,5'S,5''R,6''R,8a''R)-5''-(Hydroxyméthyl)-2'',5'',8a''-triméthyldodécahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-ol [French] [ACD/IUPAC Name]
Dispiro[furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalene]-5''-methanol, dodecahydro-6''-hydroxy-2'',5'',8''a-trimethyl-, (2''S,3S,4''aR,5'S,5''R,6''R,8''aR)- [ACD/Index Name]
5''-hydroxymethyl-2'',5'',8a''-trimethyl-(2''S,3'S,4a''S,5'S,5''R,6''R,8a''R)-dispiro[tetrahydrofuran-3,2'-(dihydrofuran)-5',1''-perhydronaphthalene]-6''-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 242.7±25.9 °C
Index of Refraction: 1.548
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.99
ACD/KOC (pH 5.5): 434.28
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.99
ACD/KOC (pH 7.4): 434.28
Polar Surface Area: 59 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 292.8±5.0 cm3

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