ChemSpider 2D Image | dapdiamide A | C12H20N4O5

dapdiamide A

  • Molecular FormulaC12H20N4O5
  • Average mass300.311 Da
  • Monoisotopic mass300.143372 Da
  • ChemSpider ID34999419

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[(2S)-3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-2-ammoniopropanoyl]amino}-3-methylbutanoat [German] [ACD/IUPAC Name]
(2S)-2-{[(2S)-3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-2-ammoniopropanoyl]amino}-3-methylbutanoate [ACD/IUPAC Name]
(2S)-2-{[(2S)-3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-2-ammoniopropanoyl]amino}-3-méthylbutanoate [French] [ACD/IUPAC Name]
3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-L-alanyl-L-valin [German] [ACD/IUPAC Name]
3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-L-alanyl-L-valine [ACD/IUPAC Name]
3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-L-alanyl-L-valine [French] [ACD/IUPAC Name]
dapdiamide A
L-Valine, 3-[[(2E)-4-amino-1,4-dioxo-2-buten-1-yl]amino]-L-alanyl- [ACD/Index Name]
(2S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-3-methylbutanoate
3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-valine
More...

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

Density:
Boiling Point: 724.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.2±6.0 kJ/mol
Flash Point: 391.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -4.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement