ChemSpider 2D Image | (3aR,5S,7R,7aR)-2,2,2',2'-Tetramethyl-5'-oxotetrahydro-4H-spiro[1,3-benzodioxole-5,4'-[1,3]dioxolan]-7-yl (2E)-3-(3,4-diacetoxyphenyl)acrylate | C26H30O11

(3aR,5S,7R,7aR)-2,2,2',2'-Tetramethyl-5'-oxotetrahydro-4H-spiro[1,3-benzodioxole-5,4'-[1,3]dioxolan]-7-yl (2E)-3-(3,4-diacetoxyphenyl)acrylate

  • Molecular FormulaC26H30O11
  • Average mass518.510 Da
  • Monoisotopic mass518.178833 Da
  • ChemSpider ID8943549

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,5S,7R,7aR)-2,2,2',2'-Tetramethyl-5'-oxotetrahydro-4H-spiro[1,3-benzodioxole-5,4'-[1,3]dioxolan]-7-yl (2E)-3-(3,4-diacetoxyphenyl)acrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-[3,4-bis(acetyloxy)phenyl]-, (3aR,5S,7R,7aR)-tetrahydro-2,2,2',2'-tetramethyl-5'-oxospiro[1,3-benzodioxole-5(4H),4'-[1,3]dioxolan]-7-yl ester, (2E)- [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: 646.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 274.7±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.60
ACD/KOC (pH 5.5): 402.81
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.60
ACD/KOC (pH 7.4): 402.81
Polar Surface Area: 133 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 385.0±5.0 cm3

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