ChemSpider 2D Image | 5-(4'-Acetoxy-1a',3a',7a',8',9',10a'-hexahydro-2'H,4'H-dispiro[oxirane-2,10'-oxireno[6,7]cyclonona[1,2-c]pyran-3',2''-oxiran]-7'-yl)-2-methyl-2-pentene-4,5-diyl diacetate | C26H34O10

5-(4'-Acetoxy-1a',3a',7a',8',9',10a'-hexahydro-2'H,4'H-dispiro[oxirane-2,10'-oxireno[6,7]cyclonona[1,2-c]pyran-3',2''-oxiran]-7'-yl)-2-methyl-2-pentene-4,5-diyl diacetate

  • Molecular FormulaC26H34O10
  • Average mass506.542 Da
  • Monoisotopic mass506.215210 Da
  • ChemSpider ID3840824

More details:

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

3-Pentene-1,2-diol, 1-[4'-(acetyloxy)-1'a,3'a,7'a,8',9',10'a-hexahydrodispiro[oxirane-2,10'(4'H)-oxireno[6,7]cyclonona[1,2-c]pyran-3'(2'H),2''-oxiran]-7'-yl]-4-methyl-, diacetate [ACD/Index Name]
5-(4'-Acetoxy-1a',3a',7a',8',9',10a'-hexahydro-2'H,4'H-dispiro[oxirane-2,10'-oxireno[6,7]cyclonona[1,2-c]pyran-3',2''-oxiran]-7'-yl)-2-methyl-2-pentene-4,5-diyl diacetate [ACD/IUPAC 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: 622.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 264.7±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.77
ACD/KOC (pH 5.5): 283.85
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.77
ACD/KOC (pH 7.4): 283.85
Polar Surface Area: 126 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 384.8±5.0 cm3

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