Found 22 results

Search term: MF = 'C_{39}H_{45}NO_{6}'
ChemSpider 2D Image | Methyl (2S)-2-{[(1S)-1-phenylethyl]amino}-3-[(2S,3R,4R,5R,6S)-3,4,5-tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-yl]propanoate | C39H45NO6

Methyl (2S)-2-{[(1S)-1-phenylethyl]amino}-3-[(2S,3R,4R,5R,6S)-3,4,5-tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-yl]propanoate

  • Molecular FormulaC39H45NO6
  • Average mass623.778 Da
  • Monoisotopic mass623.324707 Da
  • ChemSpider ID8921809

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S)-2-{[(1S)-1-Phényléthyl]amino}-3-[(2S,3R,4R,5R,6S)-3,4,5-tris(benzyloxy)-6-méthyltétrahydro-2H-pyran-2-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
L-threo-D-ido-Nononic acid, 4,8-anhydro-2,3,9-trideoxy-2-[[(1S)-1-phenylethyl]amino]-5,6,7-tris-O-(phenylmethyl)-, methyl ester [ACD/Index Name]
Methyl (2S)-2-{[(1S)-1-phenylethyl]amino}-3-[(2S,3R,4R,5R,6S)-3,4,5-tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Methyl-(2S)-2-{[(1S)-1-phenylethyl]amino}-3-[(2S,3R,4R,5R,6S)-3,4,5-tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.8±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 180.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.55
ACD/LogD (pH 5.5): 7.74
ACD/BCF (pH 5.5): 311113.91
ACD/KOC (pH 5.5): 191735.25
ACD/LogD (pH 7.4): 8.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 858873.06
Polar Surface Area: 75 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 530.8±5.0 cm3

Click to predict properties on the Chemicalize site


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