ChemSpider 2D Image | (5E,8E,15E,19E,24E)-22-(Dihydroxymethylene)-6,9,13,16,20,25-hexahydroxy-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,15,19-pentamethyl-2-methylene-3-oxo-1,4,7,10,1 4,17,21-heptaazacyclopentacosa-5,8,12,15,19,24-hexaene-11-carboxylic acid | C46H67N7O12

(5E,8E,15E,19E,24E)-22-(Dihydroxymethylene)-6,9,13,16,20,25-hexahydroxy-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,15,19-pentamethyl-2-methylene-3-oxo-1,4,7,10,1 4,17,21-heptaazacyclopentacosa-5,8,12,15,19,24-hexaene-11-carboxylic acid

  • Molecular FormulaC46H67N7O12
  • Average mass910.064 Da
  • Monoisotopic mass909.484741 Da
  • ChemSpider ID95638865

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E,8E,15E,19E,24E)-22-(Dihydroxymethylen)-6,9,13,16,20,25-hexahydroxy-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,15,19-pentamethyl-2-methylen-3-oxo-1,4,7,10,14, 17,21-heptaazacyclopentacosa-5,8,12,15,19,24-hexaen-11-carbonsäure [German] [ACD/IUPAC Name]
(5E,8E,15E,19E,24E)-22-(Dihydroxymethylene)-6,9,13,16,20,25-hexahydroxy-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,15,19-pentamethyl-2-methylene-3-oxo-1,4,7,10,1 4,17,21-heptaazacyclopentacosa-5,8,12,15,19,24-hexaene-11-carboxylic acid [ACD/IUPAC Name]
1,4,7,10,14,17,21-Heptaazacyclopentacosa-5,8,12,15,19,24-hexaene-11-carboxylic acid, 22-(dihydroxymethylene)-6,9,13,16,20,25-hexahydroxy-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl] -1,5,12,15,19-pentamethyl-2-methylene-8-(2-methylpropyl)-3-oxo-, (5E,8E,15E,19E,24E)- [ACD/Index Name]
Acide (5E,8E,15E,19E,24E)-22-(dihydroxyméthylène)-6,9,13,16,20,25-hexahydroxy-8-isobutyl-18-[(1E,3E)-6-méthoxy-3,5-diméthyl-7-phényl-1,3-heptadién-1-yl]-1,5,12,15,19-pentaméthyl-2-méthylène-3-oxo-1,4, 7,10,14,17,21-heptaazacyclopentacosa-5,8,12,15,19,24-hexaène-11-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1108.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.6±3.0 kJ/mol
Flash Point: 623.9±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 246.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 15
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.20
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability: 97.9±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 679.2±5.0 cm3

Click to predict properties on the Chemicalize site


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