ChemSpider 2D Image | [(1R,2S,10R,12S,13R,14S)-7,14,18-Trimethoxy-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 (2 Z)-2-methyl-2-butenoate | C34H40N2O10

[(1R,2S,10R,12S,13R,14S)-7,14,18-Trimethoxy-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 (2 Z)-2-methyl-2-butenoate

  • Molecular FormulaC34H40N2O10
  • Average mass636.689 Da
  • Monoisotopic mass636.268311 Da
  • ChemSpider ID9586000

  • 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)-7,14,18-triméthoxy-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(2 0),17-tétraén-10-yl]méthyle [French] [ACD/IUPAC Name]
[(1R,2S,10R,12S,13R,14S)-7,14,18-Trimethoxy-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 (2 
Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
[(1R,2S,10R,12S,13R,14S)-7,14,18-Trimethoxy-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-(2 
Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, [(5S,6R,7S,9R,14aS,15R)-1,5,6,7,9,10,13,14,14a,15-decahydro-2,5,11-trimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-7-(2-oxopropyl)-6,15-imino-4H-isoquino[3,2-b][3]benzazoci n-9-yl]methyl ester, (2Z)- [ACD/Index Name]
Æ9-kalihinol Y
renieramycin K

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

Density: 1.3±0.1 g/cm3
Boiling Point: 792.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.2±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 162.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1573.02
ACD/KOC (pH 5.5): 6757.88
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1573.13
ACD/KOC (pH 7.4): 6758.38
Polar Surface Area: 146 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 475.6±5.0 cm3

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