Found 2 results

Search term: NSWUFLQDWPOETD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,3R)-3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl beta-D-threo-hexopyranoside | C22H26O11

(2R,3R)-3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl β-D-threo-hexopyranoside

  • Molecular FormulaC22H26O11
  • Average mass466.435 Da
  • Monoisotopic mass466.147522 Da
  • ChemSpider ID24842565

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(2R,3R)-3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
(2R,3R)-3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-thréo-Hexopyranoside de (2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-threo-Hexopyranoside, (2R,3R)-3,4-dihydro-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-7-yl [ACD/Index Name]
SYMPLOCOSIDE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 786.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.5±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.55
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.39
Polar Surface Area: 179 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 296.4±3.0 cm3

Click to predict properties on the Chemicalize site


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