ChemSpider 2D Image | [(1R,2S,10R,12S,13R,14S)-14-Ethoxy-7-hydroxy-18-methoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-12-(2-oxopropyl)-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-4(9),6,15(20),17-tetraen-10- yl]methyl (2Z)-2-methyl-2-butenoate | C34H40N2O10

[(1R,2S,10R,12S,13R,14S)-14-Ethoxy-7-hydroxy-18-methoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-12-(2-oxopropyl)-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10- yl]methyl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC34H40N2O10
  • Average mass636.689 Da
  • Monoisotopic mass636.268311 Da
  • ChemSpider ID129237304

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2Z)-2-Méthyl-2-buténoate de [(1R,2S,10R,12S,13R,14S)-14-éthoxy-7-hydroxy-18-méthoxy-6,17,21-triméthyl-5,8,16,19-tétraoxo-12-(2-oxopropyl)-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]hénicosa -4(9),6,15(20),17-tétraén-10-yl]méthyle [French] [ACD/IUPAC Name]
[(1R,2S,10R,12S,13R,14S)-14-Ethoxy-7-hydroxy-18-methoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-12-(2-oxopropyl)-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10- yl]methyl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
[(1R,2S,10R,12S,13R,14S)-14-Ethoxy-7-hydroxy-18-methoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-12-(2-oxopropyl)-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10- yl]methyl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, [(5S,6R,7S,9R,14aS,15R)-5-ethoxy-1,5,6,7,9,10,13,14,14a,15-decahydro-11-hydroxy-2-methoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-7-(2-oxopropyl)-6,15-imino-4H-isoquino[3,2-b] [3]benzazocin-9-yl]methyl ester, (2Z)- [ACD/Index 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: 796.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.0±6.0 kJ/mol
Flash Point: 435.7±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 161.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 236.53
ACD/KOC (pH 5.5): 952.16
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 3.99
ACD/KOC (pH 7.4): 16.07
Polar Surface Area: 157 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 466.8±5.0 cm3

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