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Search term: AKXFTXXMIADPJI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Dimethyl 2,2'-{[26,28-dihydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl]bis(oxy)}diacetate | C34H32O8

Dimethyl 2,2'-{[26,28-dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl]bis(oxy)}diacetate

  • Molecular FormulaC34H32O8
  • Average mass568.613 Da
  • Monoisotopic mass568.209717 Da
  • ChemSpider ID21135019

More details:

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

2,2'-{[26,28-Dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène-25,27-diyl]bis(oxy)}diacétate de diméthyle [French] [ACD/IUPAC Name]
Acetic acid, 2,2'-[[26,28-dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diyl]bis(oxy)]bis-, dimethyl ester [ACD/Index Name]
Dimethyl 2,2'-{[26,28-dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl]bis(oxy)}diacetate [ACD/IUPAC Name]
Dimethyl-2,2'-{[26,28-dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25,27-diyl]bis(oxy)}diacetat [German] [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: 719.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 229.1±26.4 °C
Index of Refraction: 1.610
Molar Refractivity: 156.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6817.35
ACD/KOC (pH 5.5): 19305.76
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6790.68
ACD/KOC (pH 7.4): 19230.22
Polar Surface Area: 112 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 450.0±3.0 cm3

Click to predict properties on the Chemicalize site


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