ChemSpider 2D Image | 5-[(2E)-19-Hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.0~6,11~.0~11,16~]pentacosa-2,6,14,17-tetraen-14-yl]-3-methyldihydro-2(3H)-furanone | C32H47NO4

5-[(2E)-19-Hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.06,11.011,16]pentacosa-2,6,14,17-tetraen-14-yl]-3-methyldihydro-2(3H)-furanone

  • Molecular FormulaC32H47NO4
  • Average mass509.720 Da
  • Monoisotopic mass509.350494 Da
  • ChemSpider ID26327574
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

2(3H)-Furanone, dihydro-3-methyl-5-[(18E)-3,4,5,6,8a,11,12,13,14,15,16,17,20,21-tetradecahydro-11-hydroxy-8,10,16,18-tetramethyl-14,17-epoxy-2H-benzo[2,3]cyclohexadeca[1,2-b]pyridin-7-yl]- [ACD/Index Name]
5-[(2E)-19-Hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.06,11.011,16]pentacosa-2,6,14,17-tetraen-14-yl]-3-methyldihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
5-[(2E)-19-Hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.06,11.011,16]pentacosa-2,6,14,17-tetraen-14-yl]-3-methyldihydro-2(3H)-furanone [ACD/IUPAC Name]
5-[(2E)-19-Hydroxy-2,15,18,24-tétraméthyl-25-oxa-7-azatétracyclo[20.2.1.06,11.011,16]pentacosa-2,6,14,17-tétraén-14-yl]-3-méthyldihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
GYN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 666.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 356.9±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 1468.55
ACD/KOC (pH 5.5): 2042.65
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 32315.68
ACD/KOC (pH 7.4): 44948.99
Polar Surface Area: 68 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 417.8±7.0 cm3

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