ChemSpider 2D Image | (5R,5aR,8aR,9S)-9-Hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one | C23H24O9

(5R,5aR,8aR,9S)-9-Hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

  • Molecular FormulaC23H24O9
  • Average mass444.431 Da
  • Monoisotopic mass444.142029 Da
  • ChemSpider ID23310558

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
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(5R,5aR,8aR,9S)-9-Hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-on [German] [ACD/IUPAC Name]
(5R,5aR,8aR,9S)-9-Hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one [ACD/IUPAC Name]
(5R,5aR,8aR,9S)-9-Hydroxy-10-méthoxy-5-(3,4,5-triméthoxyphényl)-5,8,8a,9-tétrahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-6(5aH)-one [French] [ACD/IUPAC Name]
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-10-methoxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9S)- [ACD/Index Name]
5-methoxy-4-epipodophyllotoxin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398327/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 208.7±25.0 °C
Index of Refraction: 1.595
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.79
ACD/KOC (pH 5.5): 262.11
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.79
ACD/KOC (pH 7.4): 262.11
Polar Surface Area: 102 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 326.4±3.0 cm3

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