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ChemSpider 2D Image | Methyl (4xi)-2,3-dideoxy-4,5-O-isopropylidene-2-(methoxycarbonyl)-3-[2-(phenylsulfonyl)-2-propanyl]-D-erythro-pentonate | C20H28O8S

Methyl (4ξ)-2,3-dideoxy-4,5-O-isopropylidene-2-(methoxycarbonyl)-3-[2-(phenylsulfonyl)-2-propanyl]-D-erythro-pentonate

  • Molecular FormulaC20H28O8S
  • Average mass428.496 Da
  • Monoisotopic mass428.150482 Da
  • ChemSpider ID30650144

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4ξ)-2,3-Didésoxy-4,5-O-isopropylidène-2-(méthoxycarbonyl)-3-[2-(phénylsulfonyl)-2-propanyl]-D-érythro-pentonate de méthyle [French] [ACD/IUPAC Name]
D-erythro-Pentonic acid, 2,3-dideoxy-2-(methoxycarbonyl)-4,5-O-(1-methylethylidene)-3-[1-methyl-1-(phenylsulfonyl)ethyl]-, methyl ester, (4ξ)- [ACD/Index Name]
Methyl (4ξ)-2,3-dideoxy-4,5-O-isopropylidene-2-(methoxycarbonyl)-3-[2-(phenylsulfonyl)-2-propanyl]-D-erythro-pentonate [ACD/IUPAC Name]
Methyl-(4ξ)-2,3-didesoxy-4,5-O-isopropyliden-2-(methoxycarbonyl)-3-[2-(phenylsulfonyl)-2-propanyl]-D-erythro-pentonat [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: 550.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.7±30.1 °C
Index of Refraction: 1.508
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.15
ACD/KOC (pH 5.5): 736.85
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.14
ACD/KOC (pH 7.4): 736.80
Polar Surface Area: 114 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 353.9±3.0 cm3

Click to predict properties on the Chemicalize site


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