ChemSpider 2D Image | (6R,7R,8S)-2,3,13-Trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-1,8-diol | C22H26O7

(6R,7R,8S)-2,3,13-Trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-1,8-diol

  • Molecular FormulaC22H26O7
  • Average mass402.438 Da
  • Monoisotopic mass402.167847 Da
  • ChemSpider ID23340640

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R,7R,8S)-2,3,13-Trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1,8-diol [German] [ACD/IUPAC Name]
(6R,7R,8S)-2,3,13-Trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-1,8-diol [ACD/IUPAC Name]
(6R,7R,8S)-2,3,13-Triméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-1,8-diol [French] [ACD/IUPAC Name]
Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-1,8-diol, 5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, (6R,7R,8S)- [ACD/Index Name]
binankadsurin A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518555/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 313.8±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.35
ACD/KOC (pH 5.5): 1329.82
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 157.28
ACD/KOC (pH 7.4): 1288.32
Polar Surface Area: 87 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 320.1±3.0 cm3

Click to predict properties on the Chemicalize site


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