Found 31 results

Search term: MF = 'C_{47}H_{80}O_{5}'
ChemSpider 2D Image | (2S)-3-Hydroxy-1,2-propanediyl (10Z,13Z,16Z,10'Z,13'Z,16'Z)bis(-10,13,16-docosatrienoate) | C47H80O5

(2S)-3-Hydroxy-1,2-propanediyl (10Z,13Z,16Z,10'Z,13'Z,16'Z)bis(-10,13,16-docosatrienoate)

  • Molecular FormulaC47H80O5
  • Average mass725.135 Da
  • Monoisotopic mass724.600586 Da
  • ChemSpider ID7822897

  • 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

(10Z,13Z,16Z,10'Z,13'Z,16'Z)Bis(-10,13,16-docosatriénoate) de (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propandiyl-(10Z,13Z,16Z,10'Z,13'Z,16'Z)bis(-10,13,16-docosatrienoat) [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propanediyl (10Z,13Z,16Z,10'Z,13'Z,16'Z)bis(-10,13,16-docosatrienoate) [ACD/IUPAC Name]
10,13,16-Docosatrienoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester, (10Z,13Z,16Z,10'Z,13'Z,16'Z)- [ACD/Index Name]
1,2-di-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
DG(22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z)/0:0)
DG(22:3/22:3/0:0)

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

LMGL02010282 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 744.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.9±6.0 kJ/mol
Flash Point: 199.7±26.4 °C
Index of Refraction: 1.496
Molar Refractivity: 225.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 17.29
ACD/LogD (pH 5.5): 14.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 770.9±3.0 cm3

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