Found 1 result

Search term: 73930318 (Found by CSID)
ChemSpider 2D Image | neosartoryone A | C17H14O8S

neosartoryone A

  • Molecular FormulaC17H14O8S
  • Average mass378.353 Da
  • Monoisotopic mass378.040924 Da
  • ChemSpider ID73930318

More details:

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

1-Hydroxy-3-(hydroxymethyl)-10-methoxy-8-(methylsulfonyl)dibenzo[b,e]oxepin-6,11-dion [German] [ACD/IUPAC Name]
1-Hydroxy-3-(hydroxymethyl)-10-methoxy-8-(methylsulfonyl)dibenzo[b,e]oxepine-6,11-dione [ACD/IUPAC Name]
1-Hydroxy-3-(hydroxyméthyl)-10-méthoxy-8-(méthylsulfonyl)dibenzo[b,e]oxépine-6,11-dione [French] [ACD/IUPAC Name]
Dibenz[b,e]oxepin-6,11-dione, 1-hydroxy-3-(hydroxymethyl)-10-methoxy-8-(methylsulfonyl)- [ACD/Index Name]
neosartoryone A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4517257/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 724.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.7±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.64
ACD/KOC (pH 5.5): 101.18
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.09
Polar Surface Area: 136 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 245.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement