Found 10 results

Search term: MF = 'C_{33}H_{37}NO_{12}'
ChemSpider 2D Image | Allyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(2R,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}propanoate | C33H37NO12

Allyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(2R,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}propanoate

  • Molecular FormulaC33H37NO12
  • Average mass639.646 Da
  • Monoisotopic mass639.231567 Da
  • ChemSpider ID8969498

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-{[(9H-Fluorén-9-ylméthoxy)carbonyl]amino}-3-{[(2R,3S,4R,5R,6S)-3,4,5-triacétoxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}propanoate d'allyle [French] [ACD/IUPAC Name]
Allyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(2R,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}propanoate [ACD/IUPAC Name]
Allyl-(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(2R,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}propanoat [German] [ACD/IUPAC Name]
α-L-Galactopyranoside, (2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-oxo-3-(2-propen-1-yloxy)propyl 6-deoxy-, 2,3,4-triacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 739.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.8±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9075.25
ACD/KOC (pH 5.5): 23693.02
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9051.44
ACD/KOC (pH 7.4): 23630.88
Polar Surface Area: 162 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 485.2±5.0 cm3

Click to predict properties on the Chemicalize site


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