ChemSpider 2D Image | N,N'-[4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-formylpentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis(diaminomethaniminium) | C21H41N7O12

N,N'-[4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-formylpentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis(diaminomethaniminium)

  • Molecular FormulaC21H41N7O12
  • Average mass583.589 Da
  • Monoisotopic mass583.280212 Da
  • ChemSpider ID3145023
  • Charge - Charge


More details:






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

1,3-Cyclohexanediaminium, 4-[[5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-formylpentofuranosyl]oxy]-N1,N3-bis(diaminomethylene)-2,5,6-trihydroxy- [ACD/Index Name]
N,N'-[4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-formylpentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis(diaminomethaniminium) [ACD/IUPAC Name]
N,N'-[4-({5-Desoxy-2-O-[2-desoxy-2-(methylamino)hexopyranosyl]-3-C-formylpentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexandiyl]bis(diaminomethaniminium) [German] [ACD/IUPAC Name]
N,N'-[4-({5-Désoxy-2-O-[2-désoxy-2-(méthylamino)hexopyranosyl]-3-C-formylpentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis(diaminométhaniminium) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 948.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.5±6.0 kJ/mol
Flash Point: 527.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 16
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.52
ACD/LogD (pH 5.5): -7.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 340 Å2
Polarizability:
Surface Tension:
Molar Volume:

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