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Search term: dapdiamide B (Found by approved synonym)

ChemSpider 2D Image | dapdiamide B | C13H22N4O5

dapdiamide B

  • Molecular FormulaC13H22N4O5
  • Average mass314.338 Da
  • Monoisotopic mass314.159027 Da
  • ChemSpider ID34999420
  • 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

(2S,3S)-2-{[(2S)-3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-2-ammoniopropanoyl]amino}-3-methylpentanoat [German] [ACD/IUPAC Name]
(2S,3S)-2-{[(2S)-3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-2-ammoniopropanoyl]amino}-3-methylpentanoate [ACD/IUPAC Name]
(2S,3S)-2-{[(2S)-3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-2-ammoniopropanoyl]amino}-3-méthylpentanoate [French] [ACD/IUPAC Name]
3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-L-alanyl-L-isoleucin [German] [ACD/IUPAC Name]
3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-L-alanyl-L-isoleucine [ACD/IUPAC Name]
3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-L-alanyl-L-isoleucine [French] [ACD/IUPAC Name]
dapdiamide B
L-Isoleucine, 3-[[(2E)-4-amino-1,4-dioxo-2-buten-1-yl]amino]-L-alanyl- [ACD/Index Name]
(2S,3S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-3-methylpentanoate
3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 719.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.4±6.0 kJ/mol
Flash Point: 388.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -4.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.03
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






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