ChemSpider 2D Image | Methyl 9-({2-O-benzoyl-3-O-benzyl-5-deoxy-5-[(2R,3R,4R)-2-ethyl-3,4-dihydroxy-1-pyrrolidinyl]-alpha-D-arabinofuranosyl}oxy)nonanoate | C35H49NO9

Methyl 9-({2-O-benzoyl-3-O-benzyl-5-deoxy-5-[(2R,3R,4R)-2-ethyl-3,4-dihydroxy-1-pyrrolidinyl]-α-D-arabinofuranosyl}oxy)nonanoate

  • Molecular FormulaC35H49NO9
  • Average mass627.765 Da
  • Monoisotopic mass627.340759 Da
  • ChemSpider ID9942034

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

9-({2-O-Benzoyl-3-O-benzyl-5-désoxy-5-[(2R,3R,4R)-2-éthyl-3,4-dihydroxy-1-pyrrolidinyl]-α-D-arabinofuranosyl}oxy)nonanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 9-({2-O-benzoyl-3-O-benzyl-5-deoxy-5-[(2R,3R,4R)-2-ethyl-3,4-dihydroxy-1-pyrrolidinyl]-α-D-arabinofuranosyl}oxy)nonanoate [ACD/IUPAC Name]
Methyl-9-({2-O-benzoyl-3-O-benzyl-5-desoxy-5-[(2R,3R,4R)-2-ethyl-3,4-dihydroxy-1-pyrrolidinyl]-α-D-arabinofuranosyl}oxy)nonanoat [German] [ACD/IUPAC Name]
Nonanoic acid, 9-[[2-O-benzoyl-5-deoxy-5-[(2R,3R,4R)-2-ethyl-3,4-dihydroxy-1-pyrrolidinyl]-3-O-(phenylmethyl)-α-D-arabinofuranosyl]oxy]-, methyl ester [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: 718.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 388.4±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 46.67
ACD/KOC (pH 5.5): 143.94
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2041.11
ACD/KOC (pH 7.4): 6295.55
Polar Surface Area: 124 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 514.1±5.0 cm3

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