ChemSpider 2D Image | (3E)-N-Acetyl-3-[(4R)-4-amino-2-cyclohexen-1-ylidene]-L-alanyl-(3Z)-3-[(4R)-4-acetamido-2-cyclohexen-1-ylidene]-L-alanine | C22H30N4O5

(3E)-N-Acetyl-3-[(4R)-4-amino-2-cyclohexen-1-ylidene]-L-alanyl-(3Z)-3-[(4R)-4-acetamido-2-cyclohexen-1-ylidene]-L-alanine

  • Molecular FormulaC22H30N4O5
  • Average mass430.497 Da
  • Monoisotopic mass430.221619 Da
  • ChemSpider ID78438560

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3E)-N-Acetyl-3-[(4R)-4-amino-2-cyclohexen-1-yliden]-L-alanyl-(3Z)-3-[(4R)-4-acetamido-2-cyclohexen-1-yliden]-L-alanin [German] [ACD/IUPAC Name]
(3E)-N-Acetyl-3-[(4R)-4-amino-2-cyclohexen-1-ylidene]-L-alanyl-(3Z)-3-[(4R)-4-acetamido-2-cyclohexen-1-ylidene]-L-alanine [ACD/IUPAC Name]
(3E)-N-Acétyl-3-[(4R)-4-amino-2-cyclohexén-1-ylidène]-L-alanyl-(3Z)-3-[(4R)-4-acétamido-2-cyclohexén-1-ylidène]-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, (3E)-N-acetyl-3-[(4R)-4-amino-2-cyclohexen-1-ylidene]-L-alanyl-3-[(4R)-4-(acetylamino)-2-cyclohexen-1-ylidene]-, (3Z)- [ACD/Index Name]
Dehydroradiosumin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 838.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 132.3±6.0 kJ/mol
Flash Point: 460.8±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 338.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement