Found 3 results

Search term: ISYJYFWUXHMCFY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S)-1,5-Anhydro-1-{2,4-dihydroxy-6-[(Z)-2-(4-hydroxyphenyl)vinyl]phenyl}-D-glucitol | C20H22O8

(1S)-1,5-Anhydro-1-{2,4-dihydroxy-6-[(Z)-2-(4-hydroxyphenyl)vinyl]phenyl}-D-glucitol

  • Molecular FormulaC20H22O8
  • Average mass390.384 Da
  • Monoisotopic mass390.131470 Da
  • ChemSpider ID28489101

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{2,4-dihydroxy-6-[(Z)-2-(4-hydroxyphenyl)vinyl]phenyl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2,4-dihydroxy-6-[(Z)-2-(4-hydroxyphenyl)vinyl]phenyl}-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2,4-dihydroxy-6-[(Z)-2-(4-hydroxyphényl)vinyl]phényl}-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[2,4-dihydroxy-6-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl]-, (1S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 686.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 369.0±31.5 °C
Index of Refraction: 1.764
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.39
ACD/KOC (pH 5.5): 64.99
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 63.29
Polar Surface Area: 151 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 85.4±3.0 dyne/cm
Molar Volume: 249.7±3.0 cm3

Click to predict properties on the Chemicalize site


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