ChemSpider 2D Image | [(1R,2R,10R,13S)-7,18-Dimethoxy-6,17,21-trimethyl-5,8,12,16,19-pentaoxo-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 | C30H32N2O9

[(1R,2R,10R,13S)-7,18-Dimethoxy-6,17,21-trimethyl-5,8,12,16,19-pentaoxo-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 FormulaC30H32N2O9
  • Average mass564.583 Da
  • Monoisotopic mass564.210754 Da
  • ChemSpider ID30809606

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2Z)-2-Méthyl-2-buténoate de [(1R,2R,10R,13S)-7,18-diméthoxy-6,17,21-triméthyl-5,8,12,16,19-pentaoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]hénicosa-4(9),6,15(20),17-tétraén-10-yl]méthyl e [French] [ACD/IUPAC Name]
[(1R,2R,10R,13S)-7,18-Dimethoxy-6,17,21-trimethyl-5,8,12,16,19-pentaoxo-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,2R,10R,13S)-7,18-Dimethoxy-6,17,21-trimethyl-5,8,12,16,19-pentaoxo-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-, [(6S,9R,14aR,15R)-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,7,10,13-pentaoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl]methyl ester, (2 Z)- [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: 758.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.6±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 635.41
ACD/KOC (pH 5.5): 3521.85
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 641.84
ACD/KOC (pH 7.4): 3557.48
Polar Surface Area: 137 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 404.3±5.0 cm3

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