ChemSpider 2D Image | (2Z,5Z,8Z,11Z,18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-1-{3-[(2Z)-2-penten-1-yl]-2-oxiranyl}-16,20,22-trioxa-21lambda~5~-phosphatetracosa-2,5,8,11-tetraen-18-yl (11Z)-11-octadecenoate | C45H76NO9P

(2Z,5Z,8Z,11Z,18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-1-{3-[(2Z)-2-penten-1-yl]-2-oxiranyl}-16,20,22-trioxa-21λ5-phosphatetracosa-2,5,8,11-tetraen-18-yl (11Z)-11-octadecenoate

  • Molecular FormulaC45H76NO9P
  • Average mass806.060 Da
  • Monoisotopic mass805.525757 Da
  • ChemSpider ID117217640

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(11Z)-11-Octadécénoate de (2Z,5Z,8Z,11Z,18R)-24-amino-21-hydroxy-15-oxo-21-oxydo-1-{3-[(2Z)-2-pentén-1-yl]-2-oxiranyl}-16,20,22-trioxa-21λ5-phosphatétracosa-2,5,8,11-tétraén-18-yle [French] [ACD/IUPAC Name]
(2Z,5Z,8Z,11Z,18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-1-{3-[(2Z)-2-penten-1-yl]-2-oxiranyl}-16,20,22-trioxa-21λ5-phosphatetracosa-2,5,8,11-tetraen-18-yl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(2Z,5Z,8Z,11Z,18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-1-{3-[(2Z)-2-penten-1-yl]-2-oxiranyl}-16,20,22-trioxa-21λ5-phosphatetracosa-2,5,8,11-tetraen-18-yl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(4Z,7Z,10Z,13Z)-1-oxo-15-[3-[(2Z)-2-penten-1-yl]oxiranyl]-4,7,10,13-pentadecatetraen-1-yl]oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 807.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±6.0 kJ/mol
Flash Point: 442.1±37.1 °C
Index of Refraction: 1.508
Molar Refractivity: 229.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.26
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 45290.62
ACD/KOC (pH 5.5): 14569.45
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 36486.07
ACD/KOC (pH 7.4): 11737.13
Polar Surface Area: 157 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 770.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement