ChemSpider 2D Image | {[(1R,2R,3S,4R,5R,6S)-4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diimino}bis(iminomethanaminium) | C21H41N7O12

{[(1R,2R,3S,4R,5R,6S)-4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diimino}bis(iminomethanaminium)

  • Molecular FormulaC21H41N7O12
  • Average mass583.589 Da
  • Monoisotopic mass583.280212 Da
  • ChemSpider ID21258581

  • Charge - Charge

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

{[(1R,2R,3S,4R,5R,6S)-4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diimino}bis(iminomethanaminium) [ACD/IUPAC Name]
{[(1R,2R,3S,4R,5R,6S)-4-({5-Desoxy-2-O-[2-desoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexandiyl]diimino}bis(iminomethanaminium) [German] [ACD/IUPAC Name]
{[(1R,2R,3S,4R,5R,6S)-4-({5-Désoxy-2-O-[2-désoxy-2-(méthylamino)-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diimino}bis(iminométhanaminium) [French] [ACD/IUPAC Name]
Guanidine, N,N'''-[(1R,2R,3S,4R,5R,6S)-4-[[5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl]oxy]-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis-, conjugate diaci d [ACD/Index Name]

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

Density:
Boiling Point: 872.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.1±6.0 kJ/mol
Flash Point: 481.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 16
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -8.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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