ChemSpider 2D Image | renieramycin E | C30H34N2O9

renieramycin E

  • Molecular FormulaC30H34N2O9
  • Average mass566.599 Da
  • Monoisotopic mass566.226440 Da
  • ChemSpider ID16738367

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 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,13S)-12-hydroxy-7,18-diméthoxy-6,17,21-triméthyl-5,8,16,19-tétraoxo-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,13S)-12-Hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-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,13S)-12-Hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-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,7S,9R,14aS,15R)-1,5,6,7,9,10,13,14,14a,15-decahydro-7-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl]methy l ester, (2Z)- [ACD/Index Name]
renieramycin E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 764.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.9±6.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 383.73
ACD/KOC (pH 5.5): 2461.44
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 383.93
ACD/KOC (pH 7.4): 2462.68
Polar Surface Area: 140 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 405.4±5.0 cm3

Click to predict properties on the Chemicalize site


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