ChemSpider 2D Image | 12,28-Bis[(4E)-3-hydroxy-2-methyl-4-hexen-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1~15,18~.0~6,8~]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione | C43H54N2O10

12,28-Bis[(4E)-3-hydroxy-2-methyl-4-hexen-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

  • Molecular FormulaC43H54N2O10
  • Average mass758.896 Da
  • Monoisotopic mass758.377869 Da
  • ChemSpider ID8163256

  • Double-bond stereo - Double-bond stereo

More details:

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

12,28-Bis[(4E)-3-hydroxy-2-methyl-4-hexen-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaen-14,30-dion [German] [ACD/IUPAC Name]
12,28-Bis[(4E)-3-hydroxy-2-methyl-4-hexen-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione [ACD/IUPAC Name]
12,28-Bis[(4E)-3-hydroxy-2-méthyl-4-hexén-2-yl]-20-méthoxy-7,13,17,29,33-pentaoxa-34,35-diazatétracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-décaène-14,30-dione [French] [ACD/IUPAC Name]
7,13,17,29,33-Pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione, 12,28-bis[(3E)-2-hydroxy-1,1-dimethyl-3-penten-1-yl]-20-methox y- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 899.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 497.5±37.1 °C
Index of Refraction: 1.584
Molar Refractivity: 208.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4817.02
ACD/KOC (pH 5.5): 15056.56
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4817.02
ACD/KOC (pH 7.4): 15056.56
Polar Surface Area: 167 Å2
Polarizability: 82.7±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 623.6±5.0 cm3

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