ChemSpider 2D Image | 2,3-Bis{[(9Z,12R)-12-hydroxy-9-octadecenoyl]oxy}propyl (9Z,12R,21Z,24R)-12-hexyl-12,24-dihydroxy-13-oxo-9,21-triacontadienoate | C75H136O11

2,3-Bis{[(9Z,12R)-12-hydroxy-9-octadecenoyl]oxy}propyl (9Z,12R,21Z,24R)-12-hexyl-12,24-dihydroxy-13-oxo-9,21-triacontadienoate

  • Molecular FormulaC75H136O11
  • Average mass1213.876 Da
  • Monoisotopic mass1213.008301 Da
  • ChemSpider ID23254697

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(9Z,12R,21Z,24R)-12-Hexyl-12,24-dihydroxy-13-oxo-9,21-triacontadiénoate de 2,3-bis{[(9Z,12R)-12-hydroxy-9-octadecenoyl]oxy}propyle [French] [ACD/IUPAC Name]
2,3-Bis{[(9Z,12R)-12-hydroxy-9-octadecenoyl]oxy}propyl (9Z,12R,21Z,24R)-12-hexyl-12,24-dihydroxy-13-oxo-9,21-triacontadienoate [ACD/IUPAC Name]
2,3-Bis{[(9Z,12R)-12-hydroxy-9-octadecenoyl]oxy}propyl-(9Z,12R,21Z,24R)-12-hexyl-12,24-dihydroxy-13-oxo-9,21-triacontadienoat [German] [ACD/IUPAC Name]
2,3-bis{[(9Z,12R)-12-hydroxyoctadec-9-enoyl]oxy}propyl (9Z,12R,21Z,24R)-12-hexyl-12,24-dihydroxy-13-oxotriaconta-9,21-dienoate
9,21-Triacontadienoic acid, 12-hexyl-12,24-dihydroxy-13-oxo-, 2,3-bis[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (9Z,12R,21Z,24R)- [ACD/Index Name]
glycerol, 1-(12-ricinoleoylricinoleoyl)-2,3-diricinoleoyl-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1050.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.0±6.0 kJ/mol
Flash Point: 250.4±27.8 °C
Index of Refraction: 1.494
Molar Refractivity: 361.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 69
#Rule of 5 Violations: 3
ACD/LogP: 23.56
ACD/LogD (pH 5.5): 21.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 177 Å2
Polarizability: 143.1±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 1240.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement