ChemSpider 2D Image | 2,2'-[4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)-3-O-phosphonopentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diguanidine | C21H42N7O15P

2,2'-[4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)-3-O-phosphonopentofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diguanidine

  • Molecular FormulaC21H42N7O15P
  • Average mass663.570 Da
  • Monoisotopic mass663.247620 Da
  • ChemSpider ID2607167

More details:

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

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

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1027.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.0±6.0 kJ/mol
Flash Point: 575.3±37.1 °C
Index of Refraction: 1.772
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 22
#H bond donors: 18
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.83
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): -8.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 396 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 107.5±7.0 dyne/cm
Molar Volume: 314.7±7.0 cm3

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