ChemSpider 2D Image | 1,5-Anhydro-3-{[(1R,3S)-3-{[(1S,4S)-5-(cyclopentylcarbonyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]carbonyl}-3-isopropylcyclopentyl]amino}-2,3-dideoxy-4-O-methyl-D-erythro-pentitol | C26H43N3O4

1,5-Anhydro-3-{[(1R,3S)-3-{[(1S,4S)-5-(cyclopentylcarbonyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]carbonyl}-3-isopropylcyclopentyl]amino}-2,3-dideoxy-4-O-methyl-D-erythro-pentitol

  • Molecular FormulaC26H43N3O4
  • Average mass461.637 Da
  • Monoisotopic mass461.325348 Da
  • ChemSpider ID26384747

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1,5-Anhydro-3-{[(1R,3S)-3-{[(1S,4S)-5-(cyclopentylcarbonyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]carbonyl}-3-isopropylcyclopentyl]amino}-2,3-dideoxy-4-O-methyl-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-3-{[(1R,3S)-3-{[(1S,4S)-5-(cyclopentylcarbonyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]carbonyl}-3-isopropylcyclopentyl]amino}-2,3-didesoxy-4-O-methyl-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3-{[(1R,3S)-3-{[(1S,4S)-5-(cyclopentylcarbonyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]carbonyl}-3-isopropylcyclopentyl]amino}-2,3-didésoxy-4-O-méthyl-D-érythro-pentitol [French] [ACD/IUPAC 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: 633.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.1±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 127.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 19.95
Polar Surface Area: 71 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 391.3±5.0 cm3

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