ChemSpider 2D Image | 13-Amino-4,15,16-trihydroxy-1-methoxy-12-methyl-3,4,8a,13-tetrahydro-2H-chromeno[3',2':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-5,14(1H,9H)-dione | C27H24N2O9

13-Amino-4,15,16-trihydroxy-1-methoxy-12-methyl-3,4,8a,13-tetrahydro-2H-chromeno[3',2':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-5,14(1H,9H)-dione

  • Molecular FormulaC27H24N2O9
  • Average mass520.487 Da
  • Monoisotopic mass520.148193 Da
  • ChemSpider ID4514638

More details:

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

13-Amino-4,15,16-trihydroxy-1-methoxy-12-methyl-3,4,8a,13-tetrahydro-2H-chromeno[3',2':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isochinolin-5,14(1H,9H)-dion [German] [ACD/IUPAC Name]
13-Amino-4,15,16-trihydroxy-1-methoxy-12-methyl-3,4,8a,13-tetrahydro-2H-chromeno[3',2':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-5,14(1H,9H)-dione [ACD/IUPAC Name]
13-Amino-4,15,16-trihydroxy-1-méthoxy-12-méthyl-3,4,8a,13-tétrahydro-2H-chroméno[3',2':6,7][1,3]dioxino[4',5',6':4,5]naphto[2,1-g]isoquinoléine-5,14(1H,9H)-dione [French] [ACD/IUPAC Name]
2H-[1]Benzopyrano[3',2':6,7][1,3]dioxino[4',5',6':4,5]naphth[2,1-g]isoquinoline-5,14(1H,9H)-dione, 13-amino-3,4,8a,13-tetrahydro-4,15,16-trihydroxy-1-methoxy-12-methyl- [ACD/Index Name]
1H-Xantheno(4',3',2':4,5)(1,3)benzodioxino(7,6-g)isoquinoline-14,17(2H,9H)-dione, 13-amino-3,4,8a,13-tetrahydro-1,15,16-trihydroxy-4-methoxy-12-methyl-, (1S-(1α,4α,8aα))-
2H-Xantheno(1',2',3':4:5)(1,3)benzodioxino(7,6-g)isoquinoline-5,14(1H,9H)-dione, 13-amino-3,4,8a,13-tetrahydro-4,15,16-trihydroxy-1-methoxy-12-methyl-, (1R-(1-α,4-α,8a-β))-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 869.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.4±3.0 kJ/mol
Flash Point: 479.6±37.1 °C
Index of Refraction: 1.793
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.78
ACD/KOC (pH 5.5): 173.04
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.77
Polar Surface Area: 161 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 104.8±5.0 dyne/cm
Molar Volume: 303.7±5.0 cm3

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