ChemSpider 2D Image | {[4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diimino}bis(iminomethanaminium) | C21H43N7O12

{[4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diimino}bis(iminomethanaminium)

  • Molecular FormulaC21H43N7O12
  • Average mass585.605 Da
  • Monoisotopic mass585.295898 Da
  • ChemSpider ID21234557

  • Charge - Charge

More details:

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

{[4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diimino}bis(iminomethanaminium) [ACD/IUPAC Name]
{[4-({5-Desoxy-2-O-[2-desoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexandiyl]diimino}bis(iminomethanaminium) [German] [ACD/IUPAC Name]
{[4-({5-Désoxy-2-O-[2-désoxy-2-(méthylamino)hexopyranosyl]-3-C-(hydroxyméthyl)pentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diimino}bis(iminométhanaminium) [French] [ACD/IUPAC Name]
Guanidine, N,N'''-[4-[[5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl]oxy]-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis-, conjugate diacid [ACD/Index Name]

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

Density:
Boiling Point: 879.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.2±6.0 kJ/mol
Flash Point: 485.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 17
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.38
ACD/LogD (pH 5.5): -9.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 338 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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