ChemSpider 2D Image | (2R,4a'S,6'S,8a'R)-4a'-[1,3-Bis(benzyloxy)-2-propanyl]-6'-(2-hydroxyethyl)-7'-methyl-4,4a',5,5',6',8a'-hexahydro-3H-spiro[furan-2,3'-isochromen]-4'(1'H)-one | C32H40O6

(2R,4a'S,6'S,8a'R)-4a'-[1,3-Bis(benzyloxy)-2-propanyl]-6'-(2-hydroxyethyl)-7'-methyl-4,4a',5,5',6',8a'-hexahydro-3H-spiro[furan-2,3'-isochromen]-4'(1'H)-one

  • Molecular FormulaC32H40O6
  • Average mass520.656 Da
  • Monoisotopic mass520.282471 Da
  • ChemSpider ID9343465

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4a'S,6'S,8a'R)-4a'-[1,3-Bis(benzyloxy)-2-propanyl]-6'-(2-hydroxyethyl)-7'-methyl-4,4a',5,5',6',8a'-hexahydro-3H-spiro[furan-2,3'-isochromen]-4'(1'H)-on [German] [ACD/IUPAC Name]
(2R,4a'S,6'S,8a'R)-4a'-[1,3-Bis(benzyloxy)-2-propanyl]-6'-(2-hydroxyethyl)-7'-methyl-4,4a',5,5',6',8a'-hexahydro-3H-spiro[furan-2,3'-isochromen]-4'(1'H)-one [ACD/IUPAC Name]
(2R,4a'S,6'S,8a'R)-4a'-[1,3-Bis(benzyloxy)-2-propanyl]-6'-(2-hydroxyéthyl)-7'-méthyl-4,4a',5,5',6',8a'-hexahydro-3H-spiro[furan-2,3'-isochromen]-4'(1'H)-one [French] [ACD/IUPAC Name]
Spiro[3H-2-benzopyran-3,2'(3'H)-furan]-4(1H)-one, 4',4a,5,5',6,8a-hexahydro-6-(2-hydroxyethyl)-7-methyl-4a-[2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethyl]-, (3R,4aS,6S,8aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 208.8±25.0 °C
Index of Refraction: 1.591
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5077.31
ACD/KOC (pH 5.5): 15634.56
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5077.31
ACD/KOC (pH 7.4): 15634.56
Polar Surface Area: 74 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 432.7±5.0 cm3

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