ChemSpider 2D Image | N~2~-{(2E,4Z)-4-[(1aS,2S,4aS)-2-Hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-ylidene]-2-butenoyl}-L-glutamine | C23H33N3O5

N2-{(2E,4Z)-4-[(1aS,2S,4aS)-2-Hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-ylidene]-2-butenoyl}-L-glutamine

  • Molecular FormulaC23H33N3O5
  • Average mass431.525 Da
  • Monoisotopic mass431.242035 Da
  • ChemSpider ID59701048

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

L-Glutamine, N2-[(2E,4Z)-4-[(1aS,2S,4aS)-2-hexyl-2,3,4,4a-tetrahydrocyclopent[b]oxireno[c]pyridin-7(1aH)-ylidene]-1-oxo-2-buten-1-yl]- [ACD/Index Name]
L-Glutamine, N2-[(2E,4Z)-4-[(1aS,2S,4aS,7aR)-2-hexyl-2,3,4,4a-tetrahydrocyclopent[b]oxireno[c]pyridin-7(1aH)-ylidene]-1-oxo-2-buten-1-yl]- [ACD/Index Name]
N2-{(2E,4Z)-4-[(1aS,2S,4aS)-2-Hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-yliden]-2-butenoyl}-L-glutamin [German] [ACD/IUPAC Name]
N2-{(2E,4Z)-4-[(1aS,2S,4aS)-2-Hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-ylidene]-2-butenoyl}-L-glutamine [ACD/IUPAC Name]
N2-{(2E,4Z)-4-[(1aS,2S,4aS)-2-Hexyl-2,3,4,4a-tétrahydrocyclopenta[b]oxiréno[c]pyridin-7(1aH)-ylidène]-2-butenoyl}-L-glutamine [French] [ACD/IUPAC Name]
N2-{(2E,4Z)-4-[(1aS,2S,4aS,7aR)-2-Hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-yliden]-2-butenoyl}-L-glutamin [German] [ACD/IUPAC Name]
N2-{(2E,4Z)-4-[(1aS,2S,4aS,7aR)-2-Hexyl-2,3,4,4a-tetrahydrocyclopenta[b]oxireno[c]pyridin-7(1aH)-ylidene]-2-butenoyl}-L-glutamine [ACD/IUPAC Name]
N2-{(2E,4Z)-4-[(1aS,2S,4aS,7aR)-2-Hexyl-2,3,4,4a-tétrahydrocyclopenta[b]oxiréno[c]pyridin-7(1aH)-ylidène]-2-butenoyl}-L-glutamine [French] [ACD/IUPAC Name]
Epostatin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 764.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 416.2±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 345.0±5.0 cm3

Click to predict properties on the Chemicalize site


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