ChemSpider 2D Image | 2,4-Bis{[ammonio(imino)methyl]amino}-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)hexopyranosyl]-3-C-formylpentofuranoside | C21H42N7O12

2,4-Bis{[ammonio(imino)methyl]amino}-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)hexopyranosyl]-3-C-formylpentofuranoside

  • Molecular FormulaC21H42N7O12
  • Average mass584.596 Da
  • Monoisotopic mass584.287476 Da
  • ChemSpider ID21432303
  • Charge - Charge


More details:






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

2,4-Bis{[ammonio(imino)methyl]amino}-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)hexopyranosyl]-3-C-formylpentofuranoside [ACD/IUPAC Name]
2,4-Bis{[ammonio(imino)methyl]amino}-3,5,6-trihydroxycyclohexyl-5-desoxy-2-O-[2-desoxy-2-(methylammonio)hexopyranosyl]-3-C-formylpentofuranosid [German] [ACD/IUPAC Name]
5-Désoxy-2-O-[2-désoxy-2-(méthylammonio)hexopyranosyl]-3-C-formylpentofuranoside de 2,4-bis{[ammonio(imino)méthyl]amino}-3,5,6-trihydroxycyclohexyle [French] [ACD/IUPAC Name]
Guanidine, N,N'''-[4-[[5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-formylpentofuranosyl]oxy]-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis-, conjugate triacid [ACD/Index Name]

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

Density:
Boiling Point: 872.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 144.1±0.0 kJ/mol
Flash Point: 481.7±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 16
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -7.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 339 Å2
Polarizability:
Surface Tension:
Molar Volume:

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