ChemSpider 2D Image | (5E,8E,15E,24E)-15-Benzyl-11,22-bis(dihydroxymethylene)-6,9,16,20,25-pentahydroxy-8-isobutyl-18-[(3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylene-1,4,7,10,14, 17,21-heptaazacyclopentacosa-5,8,15,19,24-pentaene-3,13-dione | C52H71N7O12

(5E,8E,15E,24E)-15-Benzyl-11,22-bis(dihydroxymethylene)-6,9,16,20,25-pentahydroxy-8-isobutyl-18-[(3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylene-1,4,7,10,14, 17,21-heptaazacyclopentacosa-5,8,15,19,24-pentaene-3,13-dione

  • Molecular FormulaC52H71N7O12
  • Average mass986.160 Da
  • Monoisotopic mass985.516052 Da
  • ChemSpider ID95637190

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E,8E,15E,24E)-15-Benzyl-11,22-bis(dihydroxymethylen)-6,9,16,20,25-pentahydroxy-8-isobutyl-18-[(3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylen-1,4,7,10,14,17 ,21-heptaazacyclopentacosa-5,8,15,19,24-pentaen-3,13-dion [German] [ACD/IUPAC Name]
(5E,8E,15E,24E)-15-Benzyl-11,22-bis(dihydroxymethylene)-6,9,16,20,25-pentahydroxy-8-isobutyl-18-[(3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylene-1,4,7,10,14, 17,21-heptaazacyclopentacosa-5,8,15,19,24-pentaene-3,13-dione [ACD/IUPAC Name]
(5E,8E,15E,24E)-15-Benzyl-11,22-bis(dihydroxyméthylène)-6,9,16,20,25-pentahydroxy-8-isobutyl-18-[(3E)-6-méthoxy-3,5-diméthyl-7-phényl-1,3-heptadién-1-yl]-1,5,12,19-tétraméthyl-2-méthylène-1,4,7,10,14, 17,21-heptaazacyclopentacosa-5,8,15,19,24-pentaène-3,13-dione [French] [ACD/IUPAC Name]
1,4,7,10,14,17,21-Heptaazacyclopentacosa-5,8,15,19,24-pentaene-3,13-dione, 11,22-bis(dihydroxymethylene)-6,9,16,20,25-pentahydroxy-18-[(3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,1 9-tetramethyl-2-methylene-8-(2-methylpropyl)-15-(phenylmethyl)-, (5E,8E,15E,24E)- [ACD/Index 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: 1152.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 178.2±3.0 kJ/mol
Flash Point: 650.8±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 271.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 15
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.01
ACD/KOC (pH 5.5): 406.30
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.03
ACD/KOC (pH 7.4): 406.59
Polar Surface Area: 301 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 736.6±5.0 cm3

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