ChemSpider 2D Image | Allyl (2S,3R)-3-{[(2S,3S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoate | C30H36N2O10

Allyl (2S,3R)-3-{[(2S,3S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoate

  • Molecular FormulaC30H36N2O10
  • Average mass584.614 Da
  • Monoisotopic mass584.237000 Da
  • ChemSpider ID23976897

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S,3R)-3-{[(2S,3S,4R,5R)-3-Acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}butanoate d'allyle [French] [ACD/IUPAC Name]
Allyl (2S,3R)-3-{[(2S,3S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoate [ACD/IUPAC Name]
Allyl-(2S,3R)-3-{[(2S,3S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoat [German] [ACD/IUPAC Name]
β-L-ribo-Hexopyranoside, (1R,2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-methyl-3-oxo-3-(2-propen-1-yloxy)propyl 2-(acetylamino)-2-deoxy-, (5ξ)- [ACD/Index Name]
301843-65-2 [RN]
N-Fmoc-O-[2-acetamido-2-deoxy-?-D-galactopyranosyl]-L-threonine Allyl Ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 871.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 481.0±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 149.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.12
ACD/KOC (pH 5.5): 1398.30
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.69
ACD/KOC (pH 7.4): 1394.88
Polar Surface Area: 173 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 425.5±5.0 cm3

Click to predict properties on the Chemicalize site


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