ChemSpider 2D Image | (7Z,21R,33R,46Z)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-diphosphatripentaconta-7,46-diene-21,33-diyl (11Z,11'Z)bis(-11-octadecenoate) | C81H150O17P2

(7Z,21R,33R,46Z)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-7,46-diene-21,33-diyl (11Z,11'Z)bis(-11-octadecenoate)

  • Molecular FormulaC81H150O17P2
  • Average mass1457.995 Da
  • Monoisotopic mass1457.034790 Da
  • ChemSpider ID35032054

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(11Z,11'Z)Bis(-11-octadécénoate) de (7Z,21R,33R,46Z)-24,27,30-trihydroxy-18,36-dioxo-24,30-dioxydo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-7,46-diène-21,33-diyle [French] [ACD/IUPAC Name]
(7Z,21R,33R,46Z)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-7,46-dien-21,33-diyl-(11Z,11'Z)bis(-11-octadecenoat) [German] [ACD/IUPAC Name]
(7Z,21R,33R,46Z)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-7,46-diene-21,33-diyl (11Z,11'Z)bis(-11-octadecenoate) [ACD/IUPAC Name]
11-Octadecenoic acid, (2-hydroxy-1,3-propanediyl)bis[oxy(hydroxyphosphinyl)oxy(2R)-3,1,2-propanetriyl] ester, (11Z,11'Z,11''Z,11'''Z)- [ACD/Index Name]
(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy(3-{[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy][3-({[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid
1'-[1,2-Divaccenoyl-rac-glycero-3-phospho],3'-[1,2-divaccenoyl-rac-glycero-3-phospho]-glycerol
Cardiolipin(18:1/18:1/18:1/18:1)
Cardiolipin(72:4)
CL(1'-[18:1(11Z)/18:1(11Z)],3'-[18:1(11Z)/18:1(11Z)])
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 1142.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.4±6.0 kJ/mol
Flash Point: 644.8±37.1 °C
Index of Refraction: 1.488
Molar Refractivity: 409.9±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 82
#Rule of 5 Violations: 3
ACD/LogP: 30.54
ACD/LogD (pH 5.5): 20.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 257 Å2
Polarizability: 162.5±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 1421.4±3.0 cm3

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