ChemSpider 2D Image | Ethyl 5-{[26,28-dihydroxy-27-(2-methoxyethoxy)pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}pentanoate | C38H42O7

Ethyl 5-{[26,28-dihydroxy-27-(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}pentanoate

  • Molecular FormulaC38H42O7
  • Average mass610.736 Da
  • Monoisotopic mass610.293030 Da
  • ChemSpider ID4415669

More details:

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

5-{[26,28-Dihydroxy-27-(2-méthoxyéthoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaén-25-yl]oxy}pentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-{[26,28-dihydroxy-27-(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}pentanoate [ACD/IUPAC Name]
Ethyl-5-{[26,28-dihydroxy-27-(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}pentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 5-[[26,28-dihydroxy-27-(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-yl]oxy]-, ethyl ester [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: 749.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 230.9±26.4 °C
Index of Refraction: 1.588
Molar Refractivity: 174.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 135148.05
ACD/KOC (pH 5.5): 163759.22
ACD/LogD (pH 7.4): 7.05
ACD/BCF (pH 7.4): 134651.58
ACD/KOC (pH 7.4): 163157.63
Polar Surface Area: 94 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 518.9±3.0 cm3

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