ChemSpider 2D Image | Arctiin | C27H34O11

Arctiin

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID90827
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-
2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)- [ACD/Index Name]
4-{[(3R,4R)-4-(3,4-Dimethoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{[(3R,4R)-4-(3,4-Dimethoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-{[(3R,4R)-4-(3,4-Dimethoxybenzyl)-2-oxotetrahydrofuran-3-yl]methyl}-2-methoxyphenyl β-D-glucopyranoside
Arctigenin-4-glucoside
Arctiin [Wiki]
Arctiin (8CI)
β-D-Glucopyranoside de 4-{[(3R,4R)-4-(3,4-diméthoxybenzyl)-2-oxotétrahydro-3-furanyl]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
(-)-Arctiin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS002468 [DBID]
AIDS-002468 [DBID]
NSC 315527 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 250.1±26.4 °C
Index of Refraction: 1.601
Molar Refractivity: 134.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.40
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.40
Polar Surface Area: 153 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 391.9±3.0 cm3

Click to predict properties on the Chemicalize site


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