ChemSpider 2D Image | (5R,5aR,8aR,9R)-9-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-ol | C22H24O7

(5R,5aR,8aR,9R)-9-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-ol

  • Molecular FormulaC22H24O7
  • Average mass400.422 Da
  • Monoisotopic mass400.152191 Da
  • ChemSpider ID24704116

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,5aR,8aR,9R)-9-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-ol [German] [ACD/IUPAC Name]
(5R,5aR,8aR,9R)-9-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-ol [ACD/IUPAC Name]
(5R,5aR,8aR,9R)-9-(3,4,5-Triméthoxyphényl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-ol [French] [ACD/IUPAC Name]
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-ol, 5,5a,6,8,8a,9-hexahydro-9-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL489538/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 282.4±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.71
ACD/KOC (pH 5.5): 642.18
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.71
ACD/KOC (pH 7.4): 642.18
Polar Surface Area: 76 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 305.9±3.0 cm3

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