ChemSpider 2D Image | (4E,6E,12Z,14Z,16E)-7,19-Dimethyl-20-methylene-2-[(3E)-3-methyl-3,5-hexadien-1-yl]-22-oxooxacyclodocosa-4,6,12,14,16-pentaen-8-yl dihydrogen phosphate | C31H45O6P

(4E,6E,12Z,14Z,16E)-7,19-Dimethyl-20-methylene-2-[(3E)-3-methyl-3,5-hexadien-1-yl]-22-oxooxacyclodocosa-4,6,12,14,16-pentaen-8-yl dihydrogen phosphate

  • Molecular FormulaC31H45O6P
  • Average mass544.659 Da
  • Monoisotopic mass544.295349 Da
  • ChemSpider ID4943060

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E,6E,12Z,14Z,16E)-7,19-Dimethyl-20-methylen-2-[(3E)-3-methyl-3,5-hexadien-1-yl]-22-oxooxacyclodocosa-4,6,12,14,16-pentaen-8-yldihydrogenphosphat [German] [ACD/IUPAC Name]
(4E,6E,12Z,14Z,16E)-7,19-Dimethyl-20-methylene-2-[(3E)-3-methyl-3,5-hexadien-1-yl]-22-oxooxacyclodocosa-4,6,12,14,16-pentaen-8-yl dihydrogen phosphate [ACD/IUPAC Name]
Dihydrogénophosphate de (4E,6E,12Z,14Z,16E)-7,19-diméthyl-20-méthylène-2-[(3E)-3-méthyl-3,5-hexadién-1-yl]-22-oxooxacyclodocosa-4,6,12,14,16-pentaén-8-yle [French] [ACD/IUPAC Name]
Oxacyclodocosa-7,9,11,17,19-pentaen-2-one, 5,17-dimethyl-4-methylene-22-[(3E)-3-methyl-3,5-hexadien-1-yl]-16-(phosphonooxy)-, (7E,9Z,11Z,17E,19E)- [ACD/Index Name]
95152-88-8 [RN]
Difficidin
Oxacyclodocosa-7,9,11,17,19-pentaen-2-one, 5,17-dimethyl-4-methylene-22-(3-methyl-3,5-hexadienyl)-16-(phosphonooxy)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 710.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.1±6.0 kJ/mol
Flash Point: 383.2±35.7 °C
Index of Refraction: 1.537
Molar Refractivity: 155.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 34.17
ACD/KOC (pH 5.5): 48.70
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 3.99
ACD/KOC (pH 7.4): 5.69
Polar Surface Area: 103 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 497.2±5.0 cm3

Click to predict properties on the Chemicalize site


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