ChemSpider 2D Image | (21R,33R)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-diphosphatripentacontane-21,33-diyl dioctadecanoate | C81H158O17P2

(21R,33R)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentacontane-21,33-diyl dioctadecanoate

  • Molecular FormulaC81H158O17P2
  • Average mass1466.058 Da
  • Monoisotopic mass1465.097412 Da
  • ChemSpider ID395642

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(21R,33R)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentacontan-21,33-diyl-dioctadecanoat [German] [ACD/IUPAC Name]
(21R,33R)-24,27,30-Trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentacontane-21,33-diyl dioctadecanoate [ACD/IUPAC Name]
Dioctadécanoate de (21R,33R)-24,27,30-trihydroxy-18,36-dioxo-24,30-dioxydo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentacontane-21,33-diyle [French] [ACD/IUPAC Name]
Octadecanoic acid, (2-hydroxy-1,3-propanediyl)bis[oxy(hydroxyphosphinyl)oxy(2R)-3,1,2-propanetriyl] ester [ACD/Index Name]
(21R,33R)-24,27,30-trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ(5),30λ(5)-diphosphatripentacontane-21,33-diyl dioctadecanoate
(21R,33R)-24,27,30-trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ(5),30λ(5)-diphosphatripentacontane-21,33-diyl dioctadecanoate; 1',3'-bis[1,2-bis(octadecanoyl)-sn-glycer
(21R,33R)-24,27,30-trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ(5),30λ(5)-diphosphatripentacontane-21,33-diyl dioctadecanoate; 1',3'-bis[1,2-bis(octadecanoyl)-sn-glycero-3-phospho]-sn-glycerol
(2R)-2,3-bis(octadecanoyloxy)propoxy(3-{[(2R)-2,3-bis(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
[(2R)-2,3-bis(octadecanoyloxy)propoxy][3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid
1,1'2,2'-tetra-dodecanoyl cardiolipin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1143.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.6±6.0 kJ/mol
Flash Point: 645.6±37.1 °C
Index of Refraction: 1.478
Molar Refractivity: 409.6±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 86
#Rule of 5 Violations: 3
ACD/LogP: 32.62
ACD/LogD (pH 5.5): 25.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 257 Å2
Polarizability: 162.4±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 1446.9±3.0 cm3

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