ChemSpider 2D Image | Methyl (2S)-2-({(5S)-3,4-di-O-benzyl-5-[2-(benzyloxy)-2-propanyl]-2-deoxy-alpha-D-threo-pentopyranosyl}oxy)propanoate | C33H40O7

Methyl (2S)-2-({(5S)-3,4-di-O-benzyl-5-[2-(benzyloxy)-2-propanyl]-2-deoxy-α-D-threo-pentopyranosyl}oxy)propanoate

  • Molecular FormulaC33H40O7
  • Average mass548.667 Da
  • Monoisotopic mass548.277405 Da
  • ChemSpider ID9906033

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-({(5S)-3,4-Di-O-benzyl-5-[2-(benzyloxy)-2-propanyl]-2-désoxy-α-D-thréo-pentopyranosyl}oxy)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2S)-2-({(5S)-3,4-di-O-benzyl-5-[2-(benzyloxy)-2-propanyl]-2-deoxy-α-D-threo-pentopyranosyl}oxy)propanoate [ACD/IUPAC Name]
Methyl-(2S)-2-({(5S)-3,4-di-O-benzyl-5-[2-(benzyloxy)-2-propanyl]-2-desoxy-α-D-threo-pentopyranosyl}oxy)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[[2,7-dideoxy-6-C-methyl-3,4,6-tris-O-(phenylmethyl)-α-D-altro-heptopyranosyl]oxy]-, methyl ester, (2S)- [ACD/Index 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: 645.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 268.1±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 134063.86
ACD/KOC (pH 5.5): 162819.77
ACD/LogD (pH 7.4): 7.05
ACD/BCF (pH 7.4): 134063.86
ACD/KOC (pH 7.4): 162819.77
Polar Surface Area: 72 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 470.4±5.0 cm3

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