Found 1 result

Search term: MF = 'C_{39}H_{52}O_{26}'
ChemSpider 2D Image | (2S,3S,4S,5S)-2-{[(5xi)-3,4-Di-O-acetyl-2-deoxy-2-(2-oxopropyl)-6-O-(2,3,4,6-tetra-O-acetyl-alpha-D-galactopyranosyl)-alpha-D-xylo-hexopyranosyl]oxy}tetrahydrofuran-2,3,4,5-tetrayl tetraacetate | C39H52O26

(2S,3S,4S,5S)-2-{[(5ξ)-3,4-Di-O-acetyl-2-deoxy-2-(2-oxopropyl)-6-O-(2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl)-α-D-xylo-hexopyranosyl]oxy}tetrahydrofuran-2,3,4,5-tetrayl tetraacetate

  • Molecular FormulaC39H52O26
  • Average mass936.815 Da
  • Monoisotopic mass936.274658 Da
  • ChemSpider ID8116754

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(2S,3S,4S,5S)-2-{[(5ξ)-3,4-Di-O-acetyl-2-deoxy-2-(2-oxopropyl)-6-O-(2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl)-α-D-xylo-hexopyranosyl]oxy}tetrahydrofuran-2,3,4,5-tetrayl tetraacetate [ACD/IUPAC Name]
(2S,3S,4S,5S)-2-{[(5ξ)-3,4-Di-O-acetyl-2-desoxy-2-(2-oxopropyl)-6-O-(2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl)-α-D-xylo-hexopyranosyl]oxy}tetrahydrofuran-2,3,4,5-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
Tetraacétate de (2S,3S,4S,5S)-2-{[(5ξ)-3,4-di-O-acétyl-2-désoxy-2-(2-oxopropyl)-6-O-(2,3,4,6-tétra-O-acétyl-α-D-galactopyranosyl)-α-D-xylo-hexopyranosyl]oxy}tétrahydrofurane-2,3,4,5-tétrayle [French] [ACD/IUPAC Name]
α-D-xylo-Hexopyranoside, (2S,3S,4S,5S)-2,3,4,5-tetrakis(acetyloxy)tetrahydro-2-furanyl 2-deoxy-2-(2-oxopropyl)-6-O-(2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl)-, diacetate, (5ξ)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 858.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 335.1±34.3 °C
Index of Refraction: 1.522
Molar Refractivity: 203.6±0.4 cm3
#H bond acceptors: 26
#H bond donors: 0
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.91
ACD/KOC (pH 5.5): 317.16
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.91
ACD/KOC (pH 7.4): 317.16
Polar Surface Area: 326 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 668.0±5.0 cm3

Click to predict properties on the Chemicalize site


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