Found 78 results

Search term: MF = 'C_{29}H_{34}O_{9}'
ChemSpider 2D Image | 8-Hydroxy-3-methoxy-11-oxo-1,6-bis(2-oxoheptyl)-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid | C29H34O9

8-Hydroxy-3-methoxy-11-oxo-1,6-bis(2-oxoheptyl)-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID10202

More details:

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

11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1,6-bis(2-oxoheptyl)- [ACD/Index Name]
8-Hydroxy-3-methoxy-11-oxo-1,6-bis(2-oxoheptyl)-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsäure [German] [ACD/IUPAC Name]
8-Hydroxy-3-methoxy-11-oxo-1,6-bis(2-oxoheptyl)-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid [ACD/IUPAC Name]
Acide 8-hydroxy-3-méthoxy-11-oxo-1,6-bis(2-oxoheptyl)-11H-dibenzo[b,e][1,4]dioxépine-7-carboxylique [French] [ACD/IUPAC Name]
11H-DIBENZO(b,e)(1,4)DIOXEPIN-7-CARBOXYLIC ACID, 8-HYDROXY-3-METHOXY-11-OXO-1,6-
11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1,6-bis(2-oxoheptyl)-
4-19-00-04004 [Beilstein]
522-52-1 [RN]
Collatolic acid-A''
α-Collatolic acid

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

AIDS138688 [DBID]
AIDS-138688 [DBID]
BRN 0376916 [DBID]
NCI60_015823 [DBID]
NSC646010 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 234.6±26.4 °C
Index of Refraction: 1.568
Molar Refractivity: 138.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 18.42
ACD/KOC (pH 5.5): 37.19
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 15.92
ACD/KOC (pH 7.4): 32.13
Polar Surface Area: 136 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 422.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement