ChemSpider 2D Image | 26,28-Dipropoxypentacyclo[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-diol | C34H36O4

26,28-Dipropoxypentacyclo[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-diol

  • Molecular FormulaC34H36O4
  • Average mass508.647 Da
  • Monoisotopic mass508.261353 Da
  • ChemSpider ID2015263

More details:

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

143406-35-3 [RN]
26,28-Dipropoxypentacyclo[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-diol [German] [ACD/IUPAC Name]
26,28-Dipropoxypentacyclo[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-diol [ACD/IUPAC Name]
26,28-Dipropoxypentacyclo[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-diol [French] [ACD/IUPAC Name]
Pentacyclo[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-diol, 26,28-dipropoxy- [ACD/Index Name]
stereoisomer of 26,28-Dipropoxypentacyclo[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-diol
162301-48-6 [RN]
26,28-DIPROPOXYPENTACYCLO[19.3.1.1,?.1?,–.1–?,–?]OCTACOSA-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-DODECAENE-25,27-DIOL
26,28-dipropoxypentacyclo[19.3.1.1?,?.1?,??.1??,??]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-25,27-diol
26,28-dipropoxypentacyclo[19.3.1.1<3,7>.1<9,13>.1<15,19>]octacosa-1(25),3,5,7(26),9,11,13(27),15(28),16,18,21,23-dodecaene-25,27-diol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC04262448 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 669.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 358.9±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 152.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.80
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 310115.00
ACD/KOC (pH 5.5): 296756.47
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 308995.44
ACD/KOC (pH 7.4): 295685.13
Polar Surface Area: 59 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 443.0±3.0 cm3

Click to predict properties on the Chemicalize site


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