ChemSpider 2D Image | 2-O-{2,4-Bis[(diaminomethylene)amino]-3,5,6-trihydroxycyclohexyl}-5-deoxy-3-C-(hydroxymethyl)pentofuranosyl 2-deoxy-2-(methylamino)hexopyranoside | C21H41N7O12

2-O-{2,4-Bis[(diaminomethylene)amino]-3,5,6-trihydroxycyclohexyl}-5-deoxy-3-C-(hydroxymethyl)pentofuranosyl 2-deoxy-2-(methylamino)hexopyranoside

  • Molecular FormulaC21H41N7O12
  • Average mass583.590 Da
  • Monoisotopic mass583.281311 Da
  • ChemSpider ID4159902

More details:






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

2-Désoxy-2-(méthylamino)hexopyranoside de 2-O-{2,4-bis[(diaminométhylène)amino]-3,5,6-trihydroxycyclohexyl}-5-désoxy-3-C-(hydroxyméthyl)pentofuranosyle [French] [ACD/IUPAC Name]
2-O-{2,4-Bis[(diaminomethylen)amino]-3,5,6-trihydroxycyclohexyl}-5-desoxy-3-C-(hydroxymethyl)pentofuranosyl-2-desoxy-2-(methylamino)hexopyranosid [German] [ACD/IUPAC Name]
2-O-{2,4-Bis[(diaminomethylene)amino]-3,5,6-trihydroxycyclohexyl}-5-deoxy-3-C-(hydroxymethyl)pentofuranosyl 2-deoxy-2-(methylamino)hexopyranoside [ACD/IUPAC Name]
Hexopyranoside, 2-O-[2,4-bis[(diaminomethylene)amino]-3,5,6-trihydroxycyclohexyl]-5-deoxy-3-C-(hydroxymethyl)pentofuranosyl 2-deoxy-2-(methylamino)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 954.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.6±6.0 kJ/mol
Flash Point: 531.1±37.1 °C
Index of Refraction: 1.762
Molar Refractivity: 121.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 17
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -8.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 340 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 92.7±7.0 dyne/cm
Molar Volume: 293.5±7.0 cm3

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