ChemSpider 2D Image | 3-{13-Hydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]-12-oxotridecyl}-5-methyldihydro-2(3H)-furanone | C37H66O7

3-{13-Hydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]-12-oxotridecyl}-5-methyldihydro-2(3H)-furanone

  • Molecular FormulaC37H66O7
  • Average mass622.916 Da
  • Monoisotopic mass622.480835 Da
  • ChemSpider ID300671

More details:

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

2(3H)-Furanone, dihydro-3-(13-hydroxy-13-(octahydro-5'-(1-hydroxyundecyl)(2,2'-bifuran)-5-yl)-12-oxotridecyl)-5-methyl-
2(3H)-Furanone, dihydro-3-[13-hydroxy-13-[octahydro- 5'-(1-hydroxyundecyl)[2,2'-bifuran]-5-yl]- 12-oxotridecyl]-5-methyl-
2(3H)-Furanone, dihydro-3-[13-hydroxy-13-[octahydro-5'-(1-hydroxyundecyl)[2,2'-bifuran]-5-yl]-12-oxotridecyl]-5-methyl- [ACD/Index Name]
3-{13-Hydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]-12-oxotridecyl}-5-methyldihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
3-{13-Hydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]-12-oxotridecyl}-5-methyldihydro-2(3H)-furanone [ACD/IUPAC Name]
3-{13-Hydroxy-13-[5'-(1-hydroxyundécyl)octahydro-2,2'-bifuran-5-yl]-12-oxotridécyl}-5-méthyldihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
3-{13-hydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]-12-oxotridecyl}-5-methyldihydrofuran-2(3H)-one
B806512K271
from Rollinia papilionella
rollinone

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

NSC364581 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 734.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.4±6.0 kJ/mol
Flash Point: 216.4±19.4 °C
Index of Refraction: 1.497
Molar Refractivity: 175.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 8.66
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 926551.06
ACD/LogD (pH 7.4): 8.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 926539.88
Polar Surface Area: 102 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 598.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement