ChemSpider 2D Image | 12-Cyano-8-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-16,19-dioxo-10-[(pyruvoylamino)methyl]-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-4,6,8,15(20),17-pentaen-5-yl glycolate | C31H34N4O10

12-Cyano-8-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-16,19-dioxo-10-[(pyruvoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),17-pentaen-5-yl glycolate

  • Molecular FormulaC31H34N4O10
  • Average mass622.622 Da
  • Monoisotopic mass622.227478 Da
  • ChemSpider ID3013861

More details:

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

12-Cyan-8-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-16,19-dioxo-10-[(pyruvoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),17-pentaen-5-ylglycolat [German] [ACD/IUPAC Name]
12-Cyano-8-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-16,19-dioxo-10-[(pyruvoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15(20),17-pentaen-5-yl glycolate [ACD/IUPAC Name]
Acetic acid, 2-hydroxy-, 7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-1,5,6,7,9,14,14a,15-octahydro-10-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-1,4-dioxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-13-yl ester [ACD/Index Name]
Glycolate de 12-cyano-8-hydroxy-7,18-diméthoxy-6,17,21-triméthyl-16,19-dioxo-10-[(pyruvoylamino)méthyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]hénicosa-4,6,8,15(20),17-pentaén-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 68.69
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 66.63
Polar Surface Area: 196 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 418.5±5.0 cm3

Click to predict properties on the Chemicalize site


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