ChemSpider 2D Image | Arylomycin A2 | C32H40N6O11

Arylomycin A2

  • Molecular FormulaC32H40N6O11
  • Average mass684.694 Da
  • Monoisotopic mass684.275513 Da
  • ChemSpider ID4450019

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Arylomycin A2 [Wiki]
Glycinamide, N-acetyl-N-methyl-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-Acetyl-N-methyl-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-methylglycinamid [German] [ACD/IUPAC Name]
N-Acetyl-N-methyl-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-methylglycinamide [ACD/IUPAC Name]
N-Acétyl-N-méthyl-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-méthylglycinamide [French] [ACD/IUPAC Name]
ARY

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1200.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 186.5±3.0 kJ/mol
Flash Point: 679.9±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 171.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.89
ACD/LogD (pH 5.5): -4.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 465.9±5.0 cm3

Click to predict properties on the Chemicalize site


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