ChemSpider 2D Image | 2,5-Anhydro-1-deoxy-1-[(6-hydroxy-6-methyl-2-heptanyl)amino]-D-mannitol | C14H29NO5

2,5-Anhydro-1-deoxy-1-[(6-hydroxy-6-methyl-2-heptanyl)amino]-D-mannitol

  • Molecular FormulaC14H29NO5
  • Average mass291.384 Da
  • Monoisotopic mass291.204559 Da
  • ChemSpider ID24688445

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2,5-Anhydro-1-deoxy-1-[(6-hydroxy-6-methyl-2-heptanyl)amino]-D-mannitol [ACD/IUPAC Name]
2,5-Anhydro-1-desoxy-1-[(6-hydroxy-6-methyl-2-heptanyl)amino]-D-mannitol [German] [ACD/IUPAC Name]
2,5-Anhydro-1-désoxy-1-[(6-hydroxy-6-méthyl-2-heptanyl)amino]-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 2,5-anhydro-1-deoxy-1-[(5-hydroxy-1,5-dimethylhexyl)amino]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450344/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 242.7±28.7 °C
Index of Refraction: 1.517
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 252.2±3.0 cm3

Click to predict properties on the Chemicalize site


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