Found 10 results

Search term: TXNJQKDZOVFCAQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6aR,7aS)-12-Acetyl-6-hydroxy-7a-(2-methyl-3-buten-2-yl)-7,7a,12,12a-tetrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepin-14(6aH)-one | C25H25N3O3

(6aR,7aS)-12-Acetyl-6-hydroxy-7a-(2-methyl-3-buten-2-yl)-7,7a,12,12a-tetrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepin-14(6aH)-one

  • Molecular FormulaC25H25N3O3
  • Average mass415.484 Da
  • Monoisotopic mass415.189606 Da
  • ChemSpider ID58837804

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6aR,7aS)-12-Acetyl-6-hydroxy-7a-(2-methyl-3-buten-2-yl)-7,7a,12,12a-tetrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepin-14(6aH)-on [German] [ACD/IUPAC Name]
(6aR,7aS)-12-Acetyl-6-hydroxy-7a-(2-methyl-3-buten-2-yl)-7,7a,12,12a-tetrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepin-14(6aH)-one [ACD/IUPAC Name]
(6aR,7aS)-12-Acétyl-6-hydroxy-7a-(2-méthyl-3-butén-2-yl)-7,7a,12,12a-tétrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazépin-14(6aH)-one [French] [ACD/IUPAC Name]
Indolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepin-14(6aH)-one, 12-acetyl-7a-(1,1-dimethyl-2-propen-1-yl)-7,7a,12,12a-tetrahydro-6-hydroxy-, (6aR,7aS)- [ACD/Index Name]
ACETYLASZONALENIN
acyl aszonalenin
LL-S490&β;

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 367.8±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.13
ACD/KOC (pH 5.5): 485.73
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 30.37
ACD/KOC (pH 7.4): 367.61
Polar Surface Area: 73 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 317.6±7.0 cm3

Click to predict properties on the Chemicalize site


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