ChemSpider 2D Image | N-{(1E)-3-({(2E)-2-{[(1E)-2-Amino-1,5,5-trihydroxy-1,4-pentadien-1-yl]imino}-3-[(2,2-dihydroxyvinyl)amino]-3-hydroxypropyl}disulfanyl)-1-[(E)-(2,2-dihydroxyethylidene)amino]-1-hydroxy-1-propen-2-yl}-5 ,5-dihydroxy-4-iminopentanamide | C20H32N6O12S2

N-{(1E)-3-({(2E)-2-{[(1E)-2-Amino-1,5,5-trihydroxy-1,4-pentadien-1-yl]imino}-3-[(2,2-dihydroxyvinyl)amino]-3-hydroxypropyl}disulfanyl)-1-[(E)-(2,2-dihydroxyethylidene)amino]-1-hydroxy-1-propen-2-yl}-5 ,5-dihydroxy-4-iminopentanamide

  • Molecular FormulaC20H32N6O12S2
  • Average mass612.631 Da
  • Monoisotopic mass612.151978 Da
  • ChemSpider ID95656756

  • Double-bond stereo - Double-bond stereo

More details:

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

N-{(1E)-3-({(2E)-2-{[(1E)-2-Amino-1,5,5-trihydroxy-1,4-pentadien-1-yl]imino}-3-[(2,2-dihydroxyvinyl)amino]-3-hydroxypropyl}disulfanyl)-1-[(E)-(2,2-dihydroxyethyliden)amino]-1-hydroxy-1-propen-2-yl}-5, 5-dihydroxy-4-iminopentanamid [German] [ACD/IUPAC Name]
N-{(1E)-3-({(2E)-2-{[(1E)-2-Amino-1,5,5-trihydroxy-1,4-pentadien-1-yl]imino}-3-[(2,2-dihydroxyvinyl)amino]-3-hydroxypropyl}disulfanyl)-1-[(E)-(2,2-dihydroxyethylidene)amino]-1-hydroxy-1-propen-2-yl}-5 ,5-dihydroxy-4-iminopentanamide [ACD/IUPAC Name]
N-{(1E)-3-({(2E)-2-{[(1E)-2-Amino-1,5,5-trihydroxy-1,4-pentadién-1-yl]imino}-3-[(2,2-dihydroxyvinyl)amino]-3-hydroxypropyl}disulfanyl)-1-[(E)-(2,2-dihydroxyéthylidène)amino]-1-hydroxy-1-propén-2-yl}-5 ,5-dihydroxy-4-iminopentanamide [French] [ACD/IUPAC Name]
Pentanamide, N-[(E)-1-[[[(2E)-2-[[(1E)-2-amino-1,5,5-trihydroxy-1,4-pentadien-1-yl]imino]-3-[(2,2-dihydroxyethenyl)amino]-3-hydroxypropyl]dithio]methyl]-2-[[(1E)-2,2-dihydroxyethylidene]amino]-2-hydro xyethenyl]-5,5-dihydroxy-4-imino- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1033.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.0±6.0 kJ/mol
Flash Point: 578.7±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 136.6±0.5 cm3
#H bond acceptors: 18
#H bond donors: 16
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.65
ACD/LogD (pH 5.5): -4.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 389 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 80.7±7.0 dyne/cm
Molar Volume: 362.7±7.0 cm3

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