ChemSpider 2D Image | [(1R,2S,10R,12S,13S)-12-Hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl acetate | C27H30N2O9

[(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 acetate

  • Molecular FormulaC27H30N2O9
  • Average mass526.535 Da
  • Monoisotopic mass526.195129 Da
  • ChemSpider ID8025474

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

[(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 acetate [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-acetat [German] [ACD/IUPAC Name]
6,15-Imino-4H-isoquino[3,2-b][3]benzazocine-1,4,10,13(5H)-tetrone, 9-[(acetyloxy)methyl]-6,7,9,14,14a,15-hexahydro-7-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-, (6S,7S,9R,14aS,15R)- [ACD/Index Name]
Acétate 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]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 735.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 398.5±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.78
ACD/KOC (pH 5.5): 688.91
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.82
ACD/KOC (pH 7.4): 689.31
Polar Surface Area: 140 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 364.0±5.0 cm3

Click to predict properties on the Chemicalize site


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