ChemSpider 2D Image | (2S)-3-Hydroxy-1,2-propanediyl (9Z,9'Z)bis(-9-pentadecenoate) | C33H60O5

(2S)-3-Hydroxy-1,2-propanediyl (9Z,9'Z)bis(-9-pentadecenoate)

  • Molecular FormulaC33H60O5
  • Average mass536.826 Da
  • Monoisotopic mass536.444092 Da
  • ChemSpider ID113371326

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Hydroxy-1,2-propandiyl-(9Z,9'Z)bis(-9-pentadecenoat) [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propanediyl (9Z,9'Z)bis(-9-pentadecenoate) [ACD/IUPAC Name]
(9Z,9'Z)Bis(-9-pentadécénoate) de (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
9-Pentadecenoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-pentadecen-1-yl]oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
1,2-di-(9Z-pentadecenoyl)-sn-glycerol
DG(15:1(9Z)/15:1(9Z)/0:0)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 608.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 175.9±19.4 °C
Index of Refraction: 1.478
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 12.24
ACD/LogD (pH 5.5): 10.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 565.3±3.0 cm3

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