ChemSpider 2D Image | muscoride A | C28H40N4O5

muscoride A

  • Molecular FormulaC28H40N4O5
  • Average mass512.641 Da
  • Monoisotopic mass512.299866 Da
  • ChemSpider ID9137521

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[2,4'-Bioxazole]-4-carboxylic acid, 2'-[(2S)-1-[(2S)-2-[(1,1-dimethyl-2-propen-1-yl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-5,5'-dimethyl-, 3-methyl-2-buten-1-yl ester [ACD/Index Name]
3-Methyl-2-buten-1-yl 5,5'-dimethyl-2'-{(2S)-1-[N-(2-methyl-3-buten-2-yl)-L-valyl]-2-pyrrolidinyl}-2,4'-bi-1,3-oxazole-4-carboxylate [ACD/IUPAC Name]
3-Methyl-2-buten-1-yl-5,5'-dimethyl-2'-{(2S)-1-[N-(2-methyl-3-buten-2-yl)-L-valyl]-2-pyrrolidinyl}-2,4'-bi-1,3-oxazol-4-carboxylat [German] [ACD/IUPAC Name]
5,5'-Diméthyl-2'-{(2S)-1-[N-(2-méthyl-3-butén-2-yl)-L-valyl]-2-pyrrolidinyl}-2,4'-bi-1,3-oxazole-4-carboxylate de 3-méthyl-2-butén-1-yle [French] [ACD/IUPAC Name]
muscoride A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3349171/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.5±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 12.61
ACD/KOC (pH 5.5): 54.64
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 571.67
ACD/KOC (pH 7.4): 2477.95
Polar Surface Area: 111 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 459.2±3.0 cm3

Click to predict properties on the Chemicalize site


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