ChemSpider 2D Image | hemiasterlin | C30H46N4O4

hemiasterlin

  • Molecular FormulaC30H46N4O4
  • Average mass526.711 Da
  • Monoisotopic mass526.351929 Da
  • ChemSpider ID10213622

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2E,4S)-2,5-Dimethyl-4-(methyl{3-methyl-N-[3-methyl-2-(methylammonio)-3-(1-methyl-1H-indol-3-yl)butanoyl]-L-valyl}amino)-2-hexenoat [German] [ACD/IUPAC Name]
(2E,4S)-2,5-Dimethyl-4-(methyl{3-methyl-N-[3-methyl-2-(methylammonio)-3-(1-methyl-1H-indol-3-yl)butanoyl]-L-valyl}amino)-2-hexenoate [ACD/IUPAC Name]
(2E,4S)-2,5-Diméthyl-4-(méthyl{3-méthyl-N-[3-méthyl-2-(méthylammonio)-3-(1-méthyl-1H-indol-3-yl)butanoyl]-L-valyl}amino)-2-hexénoate [French] [ACD/IUPAC Name]
hemiasterlin
L-Valinamide, N,β,β,1-tetramethyltryptophyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl- [ACD/Index Name]

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

Density:
Boiling Point: 734.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 397.8±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 7.23
ACD/KOC (pH 5.5): 28.80
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 5.45
ACD/KOC (pH 7.4): 21.73
Polar Surface Area: 111 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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