ChemSpider 2D Image | 2-[(2R)-7-Oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]-2-propanyl 6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C30H32O12

2-[(2R)-7-Oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]-2-propanyl 6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC30H32O12
  • Average mass584.568 Da
  • Monoisotopic mass584.189392 Da
  • ChemSpider ID4943733

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-[(2R)-7-Oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]-2-propanyl 6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-[(2R)-7-Oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]-2-propanyl-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-[(2R)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromén-2-yl]-2-propanyle [French] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-[1-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-1-methylethyl]-, (2R)- [ACD/Index Name]
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
131623-14-8 [RN]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 6'-ester with 2-(1-(β-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(2,3-g)(1)benzopyran-7-one, (R-(E))-
6/'-feruloylnodakenin
6'-Feruloylnodakenin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 820.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 268.4±27.8 °C
Index of Refraction: 1.660
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.47
ACD/KOC (pH 5.5): 551.57
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.26
ACD/KOC (pH 7.4): 549.05
Polar Surface Area: 170 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 393.4±5.0 cm3

Click to predict properties on the Chemicalize site


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