ChemSpider 2D Image | MFCD05663658 | C29H31NO12

MFCD05663658

  • Molecular FormulaC29H31NO12
  • Average mass585.556 Da
  • Monoisotopic mass585.184631 Da
  • ChemSpider ID8897396

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(2R,3R,4S,5R)-3,4,5-triacetoxytetrahydro-2H-pyran-2-yl]oxy}propanoic acid [ACD/IUPAC Name]
(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(2R,3R,4S,5R)-3,4,5-triacetoxytetrahydro-2H-pyran-2-yl]oxy}propansäure [German] [ACD/IUPAC Name]
105678-33-9 [RN]
Acide (2S)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-3-{[(2R,3R,4S,5R)-3,4,5-triacétoxytétrahydro-2H-pyran-2-yl]oxy}propanoïque [French] [ACD/IUPAC Name]
Fmoc-L-Ser((Ac)3-β-D-Xyl)-OH
MFCD05663658
N-α-(Fluorenylmethoxycarbonyl)-O-β-(2,3,4-tri-O-acetyl)-β-D-xylopyranosyl-L-serine
β-D-Xylopyranoside, (2S)-2-carboxy-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl, 2,3,4-triacetate [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 730.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 395.7±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 8.96
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 416.5±5.0 cm3

Click to predict properties on the Chemicalize site


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