Found 31 results

Search term: MF = 'C_{41}H_{78}NO_{7}P'
ChemSpider 2D Image | (21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C41H78NO7P

(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC41H78NO7P
  • Average mass728.034 Da
  • Monoisotopic mass727.551575 Da
  • ChemSpider ID113375928

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de (21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(octadecyloxy)methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
1-octadecyl-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphoethanolamine
PE(O-18:0/18:3(6Z,9Z,12Z))
PE(O-18:0/18:3)
PE(O-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: 747.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.6±6.0 kJ/mol
Flash Point: 406.0±35.7 °C
Index of Refraction: 1.487
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.69
ACD/LogD (pH 5.5): 10.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 541683.44
ACD/LogD (pH 7.4): 10.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 437408.53
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 734.4±3.0 cm3

Click to predict properties on the Chemicalize site


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