Found 5 results

Search term: CPPQXIRWLOCYDE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Phenyl (5xi)-4,6-di-O-acetyl-2,3-dideoxy-1-thio-beta-D-glycero-hex-2-enopyranoside | C16H18O5S

Phenyl (5ξ)-4,6-di-O-acetyl-2,3-dideoxy-1-thio-β-D-glycero-hex-2-enopyranoside

  • Molecular FormulaC16H18O5S
  • Average mass322.376 Da
  • Monoisotopic mass322.087494 Da
  • ChemSpider ID74176140

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5ξ)-4,6-Di-O-acétyl-2,3-didésoxy-1-thio-β-D-glycéro-hex-2-énopyranoside de phényle [French] [ACD/IUPAC Name]
Phenyl (5ξ)-4,6-di-O-acetyl-2,3-dideoxy-1-thio-β-D-glycero-hex-2-enopyranoside [ACD/IUPAC Name]
Phenyl-(5ξ)-4,6-di-O-acetyl-2,3-didesoxy-1-thio-β-D-glycero-hex-2-enopyranosid [German] [ACD/IUPAC Name]
β-D-glycero-Hex-2-enopyranoside, phenyl 2,3-dideoxy-1-thio-, diacetate, (5ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 438.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 212.1±16.7 °C
Index of Refraction: 1.570
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.48
ACD/KOC (pH 5.5): 746.73
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.48
ACD/KOC (pH 7.4): 746.73
Polar Surface Area: 87 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 256.9±5.0 cm3

Click to predict properties on the Chemicalize site


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