ChemSpider 2D Image | 6-O-Acetyl-1,5-anhydro-4-O-benzyl-2,3-dideoxy-2-(methoxycarbonyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylo-hex-1-enitol | C22H29NO8

6-O-Acetyl-1,5-anhydro-4-O-benzyl-2,3-dideoxy-2-(methoxycarbonyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylo-hex-1-enitol

  • Molecular FormulaC22H29NO8
  • Average mass435.468 Da
  • Monoisotopic mass435.189331 Da
  • ChemSpider ID30659000

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6-O-Acetyl-1,5-anhydro-4-O-benzyl-2,3-dideoxy-2-(methoxycarbonyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylo-hex-1-enitol [ACD/IUPAC Name]
6-O-Acetyl-1,5-anhydro-4-O-benzyl-2,3-didesoxy-2-(methoxycarbonyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylo-hex-1-enitol [German] [ACD/IUPAC Name]
6-O-Acétyl-1,5-anhydro-4-O-benzyl-2,3-didésoxy-2-(méthoxycarbonyl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-D-xylo-hex-1-énitol [French] [ACD/IUPAC Name]
D-xylo-Hex-1-enitol, 1,5-anhydro-2,3-dideoxy-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(methoxycarbonyl)-4-O-(phenylmethyl)-, 6-acetate [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: 540.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.6±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 220.84
ACD/KOC (pH 5.5): 1657.64
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 220.22
ACD/KOC (pH 7.4): 1653.01
Polar Surface Area: 109 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 356.8±5.0 cm3

Click to predict properties on the Chemicalize site


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