ChemSpider 2D Image | 2-Amino-N-[(2E,4Z)-5-(dihydroxymethyl)-13,16,19-tris(2,2-dihydroxyvinyl)-3,21,21-trihydroxy-1-(4-hydroxyphenyl)-11-oxo-4,10,13,16,19-pentaazahenicosa-2,4,20-trien-2-yl]acetamide (non-preferred name) | C31H47N7O14

2-Amino-N-[(2E,4Z)-5-(dihydroxymethyl)-13,16,19-tris(2,2-dihydroxyvinyl)-3,21,21-trihydroxy-1-(4-hydroxyphenyl)-11-oxo-4,10,13,16,19-pentaazahenicosa-2,4,20-trien-2-yl]acetamide (non-preferred name)

  • Molecular FormulaC31H47N7O14
  • Average mass741.743 Da
  • Monoisotopic mass741.318115 Da
  • ChemSpider ID95547272

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Amino-N-[(2E,4Z)-5-(dihydroxymethyl)-13,16,19-tris(2,2-dihydroxyvinyl)-3,21,21-trihydroxy-1-(4-hydroxyphenyl)-11-oxo-4,10,13,16,19-pentaazahenicosa-2,4,20-trien-2-yl]acetamid (non-preferred name) [German] [ACD/IUPAC Name]
2-Amino-N-[(2E,4Z)-5-(dihydroxymethyl)-13,16,19-tris(2,2-dihydroxyvinyl)-3,21,21-trihydroxy-1-(4-hydroxyphenyl)-11-oxo-4,10,13,16,19-pentaazahenicosa-2,4,20-trien-2-yl]acetamide (non-preferred name) [ACD/IUPAC Name]
2-Amino-N-[(2E,4Z)-5-(dihydroxyméthyl)-13,16,19-tris(2,2-dihydroxyvinyl)-3,21,21-trihydroxy-1-(4-hydroxyphényl)-11-oxo-4,10,13,16,19-pentaazahénicosa-2,4,20-trién-2-yl]acétamide (non-preferred name) [French] [ACD/IUPAC Name]
Acetamide, 2-amino-N-[(1E,3Z)-12,15,18-tris(2,2-dihydroxyethenyl)-4-(dihydroxymethyl)-2,20,20-trihydroxy-1-[(4-hydroxyphenyl)methyl]-10-oxo-3,9,12,15,18-pentaazaeicosa-1,3,19-trien-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1085.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.9±3.0 kJ/mol
Flash Point: 610.3±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 177.7±0.5 cm3
#H bond acceptors: 21
#H bond donors: 16
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -6.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 349 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 66.1±7.0 dyne/cm
Molar Volume: 506.7±7.0 cm3

Click to predict properties on the Chemicalize site


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