Found 33 results

Search term: MF = 'C_{42}H_{77}O_{9}P'
ChemSpider 2D Image | (17Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaoctacos-17-en-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C42H77O9P

(17Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaoctacos-17-en-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC42H77O9P
  • Average mass757.029 Da
  • Monoisotopic mass756.530518 Da
  • ChemSpider ID113377762

  • 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

(17Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaoctacos-17-en-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(17Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaoctacos-17-en-21-yl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de (17Z,21R,27S)-24,27,28-trihydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacos-17-én-21-yle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1Z)-1-octadecen-1-yloxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
1-(1Z-octadecenyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(P-18:0/18:3(6Z,9Z,12Z))
PG(P-18:0/18:3)
PG(P-36:3)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 786.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.4±6.0 kJ/mol
Flash Point: 429.4±35.7 °C
Index of Refraction: 1.497
Molar Refractivity: 215.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.08
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 228486.72
ACD/KOC (pH 5.5): 25357.96
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 192568.59
ACD/KOC (pH 7.4): 21371.68
Polar Surface Area: 142 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 736.3±3.0 cm3

Click to predict properties on the Chemicalize site


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