Found 1 result

Search term: 117226479 (Found by CSID)
ChemSpider 2D Image | (24R,30S)-27,30,31-Trihydroxy-2-methyl-27-oxido-21-oxo-22,26,28-trioxa-27lambda~5~-phosphahentriacontan-24-yl (5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-5,7,10,13,16,19-docosahexaenoate | C50H87O11P

(24R,30S)-27,30,31-Trihydroxy-2-methyl-27-oxido-21-oxo-22,26,28-trioxa-27λ5-phosphahentriacontan-24-yl (5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-5,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC50H87O11P
  • Average mass895.193 Da
  • Monoisotopic mass894.598572 Da
  • ChemSpider ID117226479

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(24R,30S)-27,30,31-Trihydroxy-2-methyl-27-oxido-21-oxo-22,26,28-trioxa-27λ5-phosphahentriacontan-24-yl (5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-5,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(24R,30S)-27,30,31-Trihydroxy-2-methyl-27-oxido-21-oxo-22,26,28-trioxa-27λ5-phosphahentriacontan-24-yl-(5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-5,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(5Z,7Z,10Z,13Z,16Z,19Z)-4-Hydroxy-5,7,10,13,16,19-docosahexaénoate de (24R,30S)-27,30,31-trihydroxy-2-méthyl-21-oxo-27-oxydo-22,26,28-trioxa-27λ5-phosphahéntriacontan-24-yle [French] [ACD/IUPAC Name]
5,7,10,13,16,19-Docosahexaenoic acid, 4-hydroxy-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(20-methyl-1-oxoheneicosyl)oxy]methyl]ethyl ester, (5Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 886.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.3±6.0 kJ/mol
Flash Point: 489.8±37.1 °C
Index of Refraction: 1.509
Molar Refractivity: 253.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 3
ACD/LogP: 14.56
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 33012.92
ACD/KOC (pH 5.5): 6342.19
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 27931.21
ACD/KOC (pH 7.4): 5365.93
Polar Surface Area: 179 Å2
Polarizability: 100.7±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 850.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement