ChemSpider 2D Image | (2S,3aR,9aR)-8,9a-Dihydroxy-6-methoxy-3a-(4-methoxyphenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]-2,3,3a,9a-tetrahydro-9H-furo[3,2-b]chromen-9-one | C30H30O10

(2S,3aR,9aR)-8,9a-Dihydroxy-6-methoxy-3a-(4-methoxyphenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]-2,3,3a,9a-tetrahydro-9H-furo[3,2-b]chromen-9-one

  • Molecular FormulaC30H30O10
  • Average mass550.553 Da
  • Monoisotopic mass550.183899 Da
  • ChemSpider ID552574

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3aR,9aR)-8,9a-Dihydroxy-6-methoxy-3a-(4-methoxyphenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]-2,3,3a,9a-tetrahydro-9H-furo[3,2-b]chromen-9-on [German] [ACD/IUPAC Name]
(2S,3aR,9aR)-8,9a-Dihydroxy-6-methoxy-3a-(4-methoxyphenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]-2,3,3a,9a-tetrahydro-9H-furo[3,2-b]chromen-9-one [ACD/IUPAC Name]
(2S,3aR,9aR)-8,9a-Dihydroxy-6-méthoxy-3a-(4-méthoxyphényl)-2-[(E)-2-(2,4,5-triméthoxyphényl)vinyl]-2,3,3a,9a-tétrahydro-9H-furo[3,2-b]chromén-9-one [French] [ACD/IUPAC Name]
9H-Furo[3,2-b][1]benzopyran-9-one, 2,3,3a,9a-tetrahydro-8,9a-dihydroxy-6-methoxy-3a-(4-methoxyphenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-, (2S,3aR,9aR)- [ACD/Index Name]
8,9a-Dihydroxy-6-methoxy-3a-(4-methoxy-phenyl)-2-[2-(2,4,5-trimethoxy-phenyl)-vinyl]-2,3,3a,9a-tetrahydro-1,4-dioxa-cyclopenta[b]naphthalen-9-one
rel-(2R,3aS,9aS)-8,9a-dihydroxy-6-methoxy-3a-(4-methoxyphenyl)-2-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]-2,3,3a,9a-tetrahydro-9H-furo[3,2-b]chromen-9-one
rel-5-Hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 252.0±26.4 °C
Index of Refraction: 1.666
Molar Refractivity: 147.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1550.06
ACD/KOC (pH 5.5): 6563.68
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 258.48
ACD/KOC (pH 7.4): 1094.54
Polar Surface Area: 122 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 396.3±3.0 cm3

Click to predict properties on the Chemicalize site


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