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Search term: 78440539 (Found by CSID)
ChemSpider 2D Image | (3E)-5-({3-[(2S,5S)-5-(3-{[(2E)-5-Hydroxy-3-methyl-2-pentenoyl]amino}propyl)-3,6-dioxo-2-piperazinyl]propyl}amino)-3-methyl-5-oxo-3-penten-1-yl N~2~-acetyl-N~5~-[(2E)-5-hydroxy-3-methyl-2-pentenoyl]-L -ornithinate | C35H56N6O10

(3E)-5-({3-[(2S,5S)-5-(3-{[(2E)-5-Hydroxy-3-methyl-2-pentenoyl]amino}propyl)-3,6-dioxo-2-piperazinyl]propyl}amino)-3-methyl-5-oxo-3-penten-1-yl N2-acetyl-N5-[(2E)-5-hydroxy-3-methyl-2-pentenoyl]-L -ornithinate

  • Molecular FormulaC35H56N6O10
  • Average mass720.853 Da
  • Monoisotopic mass720.405762 Da
  • ChemSpider ID78440539

  • 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

(3E)-5-({3-[(2S,5S)-5-(3-{[(2E)-5-Hydroxy-3-methyl-2-pentenoyl]amino}propyl)-3,6-dioxo-2-piperazinyl]propyl}amino)-3-methyl-5-oxo-3-penten-1-yl N2-acetyl-N5-[(2E)-5-hydroxy-3-methyl-2-pentenoyl]-L -ornithinate [ACD/IUPAC Name]
(3E)-5-({3-[(2S,5S)-5-(3-{[(2E)-5-Hydroxy-3-methyl-2-pentenoyl]amino}propyl)-3,6-dioxo-2-piperazinyl]propyl}amino)-3-methyl-5-oxo-3-penten-1-yl-N2-acetyl-N5-[(2E)-5-hydroxy-3-methyl-2-pentenoyl]-L -ornithinat [German] [ACD/IUPAC Name]
L-Ornithine, N2-acetyl-N5-[(2E)-5-hydroxy-3-methyl-1-oxo-2-penten-1-yl]-, (3E)-5-[[3-[(2S,5S)-5-[3-[[(2E)-5-hydroxy-3-methyl-1-oxo-2-penten-1-yl]amino]propyl]-3,6-dioxo-2-piperazinyl]propyl]amino] -3-methyl-5-oxo-3-penten-1-yl ester [ACD/Index Name]
N2-Acétyl-N5-[(2E)-5-hydroxy-3-méthyl-2-pentenoyl]-L-ornithinate de (3E)-5-({3-[(2S,5S)-5-(3-{[(2E)-5-hydroxy-3-méthyl-2-pentenoyl]amino}propyl)-3,6-dioxo-2-pipérazinyl]propyl}amino)-3-méthyl-5-ox ; o-3-pentén-1-yle [French] [ACD/IUPAC Name]
Talarazine B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1125.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 187.3±6.0 kJ/mol
Flash Point: 634.6±34.3 °C
Index of Refraction: 1.524
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -2.83
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 241 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 615.2±3.0 cm3

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