ChemSpider 2D Image | (5E,8E,15E,19E,24E)-22-(Dihydroxymethylene)-6,9,13,16,20,25-hexahydroxy-15-(4-hydroxybenzyl)-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylen e-3-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-5,8,12,15,19,24-hexaene-11-carboxylic acid | C52H71N7O13

(5E,8E,15E,19E,24E)-22-(Dihydroxymethylene)-6,9,13,16,20,25-hexahydroxy-15-(4-hydroxybenzyl)-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylen e-3-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-5,8,12,15,19,24-hexaene-11-carboxylic acid

  • Molecular FormulaC52H71N7O13
  • Average mass1002.159 Da
  • Monoisotopic mass1001.510986 Da
  • ChemSpider ID95640801

  • 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-15-(4-hydroxybenzyl)-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-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-15-(4-hydroxybenzyl)-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylen e-3-oxo-1,4,7,10,14,17,21-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-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl -7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-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-15-(4-hydroxybenzyl)-8-isobutyl-18-[(1E,3E)-6-méthoxy-3,5-diméthyl-7-phényl-1,3-heptadién-1-yl]-1,5,12,19-tétraméthyl-2-mé thylène-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: 1.4±0.1 g/cm3
Boiling Point: 1188.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 184.5±3.0 kJ/mol
Flash Point: 672.8±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 273.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 16
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.34
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 321 Å2
Polarizability: 108.3±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 733.3±5.0 cm3

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