ChemSpider 2D Image | (2S,3S)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-g]chromen-7-one | C20H18O8

(2S,3S)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-g]chromen-7-one

  • Molecular FormulaC20H18O8
  • Average mass386.352 Da
  • Monoisotopic mass386.100159 Da
  • ChemSpider ID33823601
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3S)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-g]chromen-7-on [German] [ACD/IUPAC Name]
(2S,3S)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-g]chromen-7-one [ACD/IUPAC Name]
(2S,3S)-3-(4-Hydroxy-3,5-diméthoxyphényl)-2-(hydroxyméthyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-g]chromén-7-one [French] [ACD/IUPAC Name]
7H-Pyrano[2,3-g]-1,4-benzodioxin-7-one, 2,3-dihydro-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-, (2S,3S)- [ACD/Index Name]
(2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
[121700-26-3] [RN]
116521-73-4 [RN]
121700-26-3 [RN]
MFCD20274736
Moluccanin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 619.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 223.3±25.0 °C
Index of Refraction: 1.618
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.75
ACD/KOC (pH 5.5): 203.07
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.70
ACD/KOC (pH 7.4): 202.06
Polar Surface Area: 104 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 275.2±3.0 cm3

Click to predict properties on the Chemicalize site






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