Found 1 result

Search term: XBWMJMIOZSMYBR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1,6,9,14-Tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid | C27H22O10

1,6,9,14-Tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid

  • Molecular FormulaC27H22O10
  • Average mass506.458 Da
  • Monoisotopic mass506.121307 Da
  • ChemSpider ID117396

More details:

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

1,6,9,14-Tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-carbonsäure [German] [ACD/IUPAC Name]
1,6,9,14-Tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid [ACD/IUPAC Name]
Acide 1,6,9,14-tétrahydroxy-3-(2-hydroxypropyl)-7-méthoxy-8,13-dioxo-5,6,8,13-tétrahydrobenzo[a]tétracène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo- [ACD/Index Name]
1,6,9,14-Tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
157110-24-2 [RN]
5,6,8,13-TETRAHYDRO-8,13-DIOXO-3-(2-HYDROXYPROPYL)-7-METHOXY-1,6,9,14-TETRAHYDROXY BENZO[A]NAPHTHACENE- 2-CARBOXYLIC ACID
Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-
Benzo[a]naphthacene-2-carboxylicacid,5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo-(9CI)
WS 79089B
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 852.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 291.2±27.8 °C
Index of Refraction: 1.753
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 1.74
ACD/KOC (pH 5.5): 6.29
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 92.6±3.0 dyne/cm
Molar Volume: 311.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement