ChemSpider 2D Image | ARCTIGNAN B | C30H32O10

ARCTIGNAN B

  • Molecular FormulaC30H32O10
  • Average mass552.569 Da
  • Monoisotopic mass552.199524 Da
  • ChemSpider ID32700712

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3R,4R)-4-{4-Hydroxy-3-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propanyl]-5-methoxybenzyl}-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3R,4R)-4-{4-Hydroxy-3-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propanyl]-5-methoxybenzyl}-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3R,4R)-4-{4-Hydroxy-3-[3-hydroxy-1-(4-hydroxy-3-méthoxyphényl)-1-oxo-2-propanyl]-5-méthoxybenzyl}-3-(4-hydroxy-3-méthoxybenzyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
155661-09-9 [RN]
2(3H)-Furanone, dihydro-4-[[4-hydroxy-3-[2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)-2-oxoethyl]-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)- [ACD/Index Name]
ARCTIGNAN B
2(3H)-FURANONE,DIHYDRO-4-[[4-HYDROXY-3-[2-(4-HYDROXY-3-METHOXYPHENYL)-1-(HYDROXYMETHYL)-2-OXOETHYL]-5-METHOXYPHENYL]METHYL]-3-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-,(3R,4R)-REL-

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

PG361FEC2M [DBID]
UNII:PG361FEC2M [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 828.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 272.2±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.31
ACD/KOC (pH 5.5): 300.02
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 15.74
ACD/KOC (pH 7.4): 232.63
Polar Surface Area: 152 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 407.1±3.0 cm3

Click to predict properties on the Chemicalize site


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