ChemSpider 2D Image | N-Methyl-N-(10-methylundecanoyl)-D-seryl-D-alanyl-N-[(7S,10S,13S)-13-carboxy-3,18-dihydroxy-10-methyl-8,11-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaen-7-yl]-N-methylglyci namide | C42H60N6O11

N-Methyl-N-(10-methylundecanoyl)-D-seryl-D-alanyl-N-[(7S,10S,13S)-13-carboxy-3,18-dihydroxy-10-methyl-8,11-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(19),2(20),3,5,15,17-hexaen-7-yl]-N-methylglyci namide

  • Molecular FormulaC42H60N6O11
  • Average mass824.959 Da
  • Monoisotopic mass824.432007 Da
  • ChemSpider ID8163609

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

Glycinamide, N-methyl-N-(10-methyl-1-oxoundecyl)-D-seryl-D-alanyl-N-[(7S,10S,13S)-13-carboxy-3,18-dihydroxy-10-methyl-8,11-dioxo-9,12-diazatricyclo[13.3.1.12,6]eicosa-1(19),2,4,6(20),15,17-hexaen-7- yl]-N-methyl- [ACD/Index Name]
N-Methyl-N-(10-methylundecanoyl)-D-seryl-D-alanyl-N-[(7S,10S,13S)-13-carboxy-3,18-dihydroxy-10-methyl-8,11-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(19),2(20),3,5,15,17-hexaen-7-yl]-N-methylglyci namid [German] [ACD/IUPAC Name]
N-Methyl-N-(10-methylundecanoyl)-D-seryl-D-alanyl-N-[(7S,10S,13S)-13-carboxy-3,18-dihydroxy-10-methyl-8,11-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(19),2(20),3,5,15,17-hexaen-7-yl]-N-methylglyci namide [ACD/IUPAC Name]
N-Méthyl-N-(10-méthylundecanoyl)-D-séryl-D-alanyl-N-[(7S,10S,13S)-13-carboxy-3,18-dihydroxy-10-méthyl-8,11-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(19),2(20),3,5,15,17-hexaén-7-yl]-N-méthylglyci namide [French] [ACD/IUPAC Name]
Arylomycin A2 [Wiki]
N-Methyl-N-(10-Methylundecanoyl)-D-Seryl-L-Alanyl-N1-[(7s,10s,13s)-13-Carboxy-3,18-Dihydroxy-10-Methyl-8,11-Dioxo-9,12-Diazatricyclo[13.3.1.12,6]Icosa-1(19),2(20),3,5,15,17-Hexaen-7-Yl]-N1-Methylglycinamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1179.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 182.9±3.0 kJ/mol
Flash Point: 667.1±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 217.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.23
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 626.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement