ChemSpider 2D Image | 1,5-Anhydro-2,3-dideoxy-3-{[(1S,3R)-3-isopropyl-3-{[3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]carbonyl}cyclopentyl]amino}-4-O-methyl-D-erythro-pentitol | C24H34F3N3O3

1,5-Anhydro-2,3-dideoxy-3-{[(1S,3R)-3-isopropyl-3-{[3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]carbonyl}cyclopentyl]amino}-4-O-methyl-D-erythro-pentitol

  • Molecular FormulaC24H34F3N3O3
  • Average mass469.540 Da
  • Monoisotopic mass469.255219 Da
  • ChemSpider ID27445301

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,5-Anhydro-2,3-dideoxy-3-{[(1S,3R)-3-isopropyl-3-{[3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]carbonyl}cyclopentyl]amino}-4-O-methyl-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-3-{[(1S,3R)-3-isopropyl-3-{[3-(trifluormethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]carbonyl}cyclopentyl]amino}-4-O-methyl-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,3-didésoxy-3-{[(1S,3R)-3-isopropyl-3-{[3-(trifluorométhyl)-7,8-dihydro-1,6-naphtyridin-6(5H)-yl]carbonyl}cyclopentyl]amino}-4-O-méthyl-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-2,3-dideoxy-3-[[(1S,3R)-3-[[7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl]carbonyl]-3-(1-methylethyl)cyclopentyl]amino]-4-O-methyl- [ACD/Index Name]
(3S,4S)-N-[(1S,3R)-3-isopropyl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]-3-methoxyoxan-4-amine
624733-88-6 [RN]
MK-0812

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.7±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.60
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 21.88
ACD/KOC (pH 7.4): 157.96
Polar Surface Area: 64 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 376.8±5.0 cm3

Click to predict properties on the Chemicalize site


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