ChemSpider 2D Image | (3aS)-16-Hydroxy-11,12-dimethoxy-3a-methyl-1,2,3a,4-tetrahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-8,14,15,17-tetrone | C29H21NO9

(3aS)-16-Hydroxy-11,12-dimethoxy-3a-methyl-1,2,3a,4-tetrahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-8,14,15,17-tetrone

  • Molecular FormulaC29H21NO9
  • Average mass527.478 Da
  • Monoisotopic mass527.121643 Da
  • ChemSpider ID59701173

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3aS)-16-Hydroxy-11,12-dimethoxy-3a-methyl-1,2,3a,4-tetrahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isochinolin-8,14,15,17-tetron [German] [ACD/IUPAC Name]
(3aS)-16-Hydroxy-11,12-dimethoxy-3a-methyl-1,2,3a,4-tetrahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-8,14,15,17-tetrone [ACD/IUPAC Name]
(3aS)-16-Hydroxy-11,12-diméthoxy-3a-méthyl-1,2,3a,4-tétrahydrochroméno[2',3':6,7]naphto[2,1-g][1,3]oxazolo[3,2-b]isoquinoléine-8,14,15,17-tétrone [French] [ACD/IUPAC Name]
[1]Benzopyrano[2',3':6,7]naphth[2,1-g]oxazolo[3,2-b]isoquinoline-8,14,15,17-tetrone, 1,2,3a,4-tetrahydro-16-hydroxy-11,12-dimethoxy-3a-methyl-, (3aS)- [ACD/Index Name]
Cervinomycin A2

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

Density: 1.6±0.1 g/cm3
Boiling Point: 806.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 441.4±34.3 °C
Index of Refraction: 1.757
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 20.85
ACD/KOC (pH 5.5): 293.94
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 26.02
Polar Surface Area: 129 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 87.8±5.0 dyne/cm
Molar Volume: 324.9±5.0 cm3

Click to predict properties on the Chemicalize site


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