Found 86 results

Search term: C42H73O11P (Found by molecular formula)
ChemSpider 2D Image | (2Z,5Z,13R,19S)-16,19,20-Trihydroxy-1-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-16-oxido-10-oxo-11,15,17-trioxa-16lambda~5~-phosphaicosa-2,5-dien-13-yl (9Z)-9-hexadecenoate | C42H73O11P

(2Z,5Z,13R,19S)-16,19,20-Trihydroxy-1-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-16-oxido-10-oxo-11,15,17-trioxa-16λ5-phosphaicosa-2,5-dien-13-yl (9Z)-9-hexadecenoate

  • Molecular FormulaC42H73O11P
  • Average mass784.996 Da
  • Monoisotopic mass784.489075 Da
  • ChemSpider ID117223659

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2Z,5Z,13R,19S)-16,19,20-Trihydroxy-1-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-16-oxido-10-oxo-11,15,17-trioxa-16λ5-phosphaicosa-2,5-dien-13-yl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(2Z,5Z,13R,19S)-16,19,20-Trihydroxy-1-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-16-oxido-10-oxo-11,15,17-trioxa-16λ5-phosphaicosa-2,5-dien-13-yl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (2Z,5Z,13R,19S)-16,19,20-trihydroxy-1-{3-[(2Z)-2-octén-1-yl]-2-oxiranyl}-10-oxo-16-oxydo-11,15,17-trioxa-16λ5-phosphaicosa-2,5-dién-13-yle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(5Z,8Z)-10-[3-[(2Z)-2-octen-1-yl]oxiranyl]-1-oxo-5,8-decadien-1-yl]oxy]methyl]ethyl ester, (9Z)- [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: 811.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.2±6.0 kJ/mol
Flash Point: 444.3±37.1 °C
Index of Refraction: 1.505
Molar Refractivity: 214.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 11.75
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 1511.01
ACD/KOC (pH 5.5): 697.50
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 1277.96
ACD/KOC (pH 7.4): 589.92
Polar Surface Area: 171 Å2
Polarizability: 85.2±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 725.2±3.0 cm3

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