ChemSpider 2D Image | hemiasterlin C | C29H44N4O4

hemiasterlin C

  • Molecular FormulaC29H44N4O4
  • Average mass512.684 Da
  • Monoisotopic mass512.336243 Da
  • ChemSpider ID4580950

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

hemiasterlin C
L-Valinamide, N,β,β,1-tetramethyl-L-tryptophyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N-methyl- [ACD/Index Name]
N,β,β,1-Tetramethyl-L-tryptophyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N-methyl-L-valinamid [German] [ACD/IUPAC Name]
N,β,β,1-Tetramethyl-L-tryptophyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N-methyl-L-valinamide [ACD/IUPAC Name]
N,β,β,1-Tétraméthyl-L-tryptophyl-N-[(3S,4E)-5-carboxy-2-méthyl-4-hexén-3-yl]-N-méthyl-L-valinamide [French] [ACD/IUPAC Name]
21-Desmethylhemiasterlin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL459013/
N,β,β,1-tetramethyl-L-tryptophyl-N-[(3S,4E)-5-carboxy-2-methylhex-4-en-3-yl]-N-methyl-L-valinamide

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

NSC703080 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 731.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 396.0±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 147.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 3.54
ACD/KOC (pH 5.5): 17.28
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 12.95
Polar Surface Area: 104 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 458.6±7.0 cm3

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