ChemSpider 2D Image | 2,5-Anhydro-4,6-dideoxy-4-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-6-[(1-methyl-4-piperidinyl)amino]-D-galactitol | C18H35N3O4

2,5-Anhydro-4,6-dideoxy-4-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-6-[(1-methyl-4-piperidinyl)amino]-D-galactitol

  • Molecular FormulaC18H35N3O4
  • Average mass357.488 Da
  • Monoisotopic mass357.262756 Da
  • ChemSpider ID22807218

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,5-Anhydro-4,6-dideoxy-4-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-6-[(1-methyl-4-piperidinyl)amino]-D-galactitol [ACD/IUPAC Name]
2,5-Anhydro-4,6-didesoxy-4-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-6-[(1-methyl-4-piperidinyl)amino]-D-galactitol [German] [ACD/IUPAC Name]
2,5-Anhydro-4,6-didésoxy-4-[(2R)-2-(méthoxyméthyl)-1-pyrrolidinyl]-6-[(1-méthyl-4-pipéridinyl)amino]-D-galactitol [French] [ACD/IUPAC Name]
D-Galactitol, 2,5-anhydro-4,6-dideoxy-4-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-6-[(1-methyl-4-piperidinyl)amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 505.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 259.4±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 299.7±5.0 cm3

Click to predict properties on the Chemicalize site


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