ChemSpider 2D Image | (2R)-2-{(2R,5S)-5-[(2R,3S,4R)-3-{[(2S)-2-{(2R,5S)-5-[(2S)-2-Hydroxypentyl]tetrahydro-2-furanyl}propanoyl]oxy}-4-{(2R,5S)-5-[(2R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]tetrahydro-2-furany l}-2-pentanyl]tetrahydro-2-furanyl}propanoic acid | C38H67NO10

(2R)-2-{(2R,5S)-5-[(2R,3S,4R)-3-{[(2S)-2-{(2R,5S)-5-[(2S)-2-Hydroxypentyl]tetrahydro-2-furanyl}propanoyl]oxy}-4-{(2R,5S)-5-[(2R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]tetrahydro-2-furany l}-2-pentanyl]tetrahydro-2-furanyl}propanoic acid

  • Molecular FormulaC38H67NO10
  • Average mass697.939 Da
  • Monoisotopic mass697.476501 Da
  • ChemSpider ID9494963

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2R)-2-{(2R,5S)-5-[(2R,3S,4R)-3-{[(2S)-2-{(2R,5S)-5-[(2S)-2-Hydroxypentyl]tetrahydro-2-furanyl}propanoyl]oxy}-4-{(2R,5S)-5-[(2R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]tetrahydro-2-furany l}-2-pentanyl]tetrahydro-2-furanyl}propanoic acid [ACD/IUPAC Name]
(2R)-2-{(2R,5S)-5-[(2R,3S,4R)-3-{[(2S)-2-{(2R,5S)-5-[(2S)-2-Hydroxypentyl]tetrahydro-2-furanyl}propanoyl]oxy}-4-{(2R,5S)-5-[(2R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]tetrahydro-2-furany l}-2-pentanyl]tetrahydro-2-furanyl}propansäure [German] [ACD/IUPAC Name]
2-Furanacetic acid, 5-[(1R,2S,3R)-3-[(2R,5S)-5-[(2R)-2-[[(1,1-dimethylethoxy)carbonyl]amino]pentyl]tetrahydro-2-furanyl]-1-methyl-2-[(2S)-1-oxo-2-[(2R,5S)-tetrahydro-5-[(2S)-2-hydroxypentyl]-2-furanyl ;]propoxy]butyl]tetrahydro-α-methyl-, (αR,2R,5S)- [ACD/Index Name]
Acide (2R)-2-{(2R,5S)-5-[(2R,3S,4R)-3-{[(2S)-2-{(2R,5S)-5-[(2S)-2-hydroxypentyl]tétrahydro-2-furanyl}propanoyl]oxy}-4-{(2R,5S)-5-[(2R)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)pentyl]tétrahydro-2- furanyl}-2-pentanyl]tétrahydro-2-furanyl}propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 768.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.5±6.0 kJ/mol
Flash Point: 418.3±23.2 °C
Index of Refraction: 1.495
Molar Refractivity: 186.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 399.70
ACD/KOC (pH 5.5): 1185.19
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 6.42
ACD/KOC (pH 7.4): 19.02
Polar Surface Area: 150 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 639.9±3.0 cm3

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