ChemSpider 2D Image | (1aR,2R,3R,3'S,3aR,5R,7bS)-3'-(Dimethoxymethyl)-3,3',3a-trimethyl-6-oxo-2,3,3a,4,6,7b-hexahydro-1aH-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate | C19H26O7

(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-(Dimethoxymethyl)-3,3',3a-trimethyl-6-oxo-2,3,3a,4,6,7b-hexahydro-1aH-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate

  • Molecular FormulaC19H26O7
  • Average mass366.405 Da
  • Monoisotopic mass366.167847 Da
  • ChemSpider ID40256871

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-(Dimethoxymethyl)-3,3',3a-trimethyl-6-oxo-2,3,3a,4,6,7b-hexahydro-1aH-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate [ACD/IUPAC Name]
Spiro[naphth[1,2-b]oxirene-5(6H),2'-oxiran]-6-one, 2-(acetyloxy)-3'-(dimethoxymethyl)-1a,2,3,3a,4,7b-hexahydro-3,3',3a-trimethyl-, (1aR,2R,3R,3'S,3aR,5R,7bS)- [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: 486.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 212.9±28.8 °C
Index of Refraction: 1.540
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.64
ACD/KOC (pH 5.5): 87.85
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.64
ACD/KOC (pH 7.4): 87.85
Polar Surface Area: 87 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 287.9±5.0 cm3

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