ChemSpider 2D Image | mechercharmycin B | C35H36N8O10

mechercharmycin B

  • Molecular FormulaC35H36N8O10
  • Average mass728.708 Da
  • Monoisotopic mass728.255432 Da
  • ChemSpider ID9449120

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valinamide, N-[[2'-(methoxycarbonyl)-5-phenyl[2,4'-bioxazol]-4-yl]carbonyl]-D-alloisoleucyl-N-[1-[4-(aminocarbonyl)[2,4'-bioxazol]-2'-yl]ethenyl]- [ACD/Index Name]
mechercharmycin B
N-{[2'-(Methoxycarbonyl)-5-phenyl-2,4'-bi-1,3-oxazol-4-yl]carbonyl}-D-alloisoleucyl-N-[1-(4-carbamoyl-2,4'-bi-1,3-oxazol-2'-yl)vinyl]-L-valinamid [German] [ACD/IUPAC Name]
N-{[2'-(Methoxycarbonyl)-5-phenyl-2,4'-bi-1,3-oxazol-4-yl]carbonyl}-D-alloisoleucyl-N-[1-(4-carbamoyl-2,4'-bi-1,3-oxazol-2'-yl)vinyl]-L-valinamide [ACD/IUPAC Name]
N-{[2'-(Méthoxycarbonyl)-5-phényl-2,4'-bi-1,3-oxazol-4-yl]carbonyl}-D-alloisoleucyl-N-[1-(4-carbamoyl-2,4'-bi-1,3-oxazol-2'-yl)vinyl]-L-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 183.1±0.3 cm3
#H bond acceptors: 18
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.96
ACD/KOC (pH 5.5): 229.54
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.96
ACD/KOC (pH 7.4): 229.54
Polar Surface Area: 261 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 554.9±3.0 cm3

Click to predict properties on the Chemicalize site


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