ChemSpider 2D Image | (3R,4S)-6,7-Dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,4-dihydro-2-naphthalenecarbaldehyde | C19H18O6

(3R,4S)-6,7-Dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,4-dihydro-2-naphthalenecarbaldehyde

  • Molecular FormulaC19H18O6
  • Average mass342.343 Da
  • Monoisotopic mass342.110352 Da
  • ChemSpider ID24657214

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-6,7-Dihydroxy-4-(4-hydroxy-3-méthoxyphényl)-3-(hydroxyméthyl)-3,4-dihydro-2-naphtalènecarbaldéhyde [French] [ACD/IUPAC Name]
(3R,4S)-6,7-Dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,4-dihydro-2-naphthalenecarbaldehyde [ACD/IUPAC Name]
(3R,4S)-6,7-Dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,4-dihydro-2-naphthalincarbaldehyd [German] [ACD/IUPAC Name]
2-Naphthalenecarboxaldehyde, 3,4-dihydro-6,7-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-, (3R,4S)- [ACD/Index Name]
(3R,4S)-6,7-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,4-dihydronaphthalene-2-carbaldehyde
1186021-77-1 [RN]
MFCD22417310
VITEXDOIN A
VitexdoinA

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

Density: 1.5±0.1 g/cm3
Boiling Point: 612.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 224.2±25.0 °C
Index of Refraction: 1.710
Molar Refractivity: 92.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.77
ACD/KOC (pH 5.5): 250.55
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.34
ACD/KOC (pH 7.4): 243.84
Polar Surface Area: 107 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 75.7±3.0 dyne/cm
Molar Volume: 236.2±3.0 cm3

Click to predict properties on the Chemicalize site


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