ChemSpider 2D Image | 13-Amino-11-chloro-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17(2H,9H)-dione | C27H23ClN2O9

13-Amino-11-chloro-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17(2H,9H)-dione

  • Molecular FormulaC27H23ClN2O9
  • Average mass554.932 Da
  • Monoisotopic mass554.109192 Da
  • ChemSpider ID4677913

More details:

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

13-Amino-11-chlor-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isochinolin-14,17(2H,9H)-dion [German] [ACD/IUPAC Name]
13-Amino-11-chloro-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17(2H,9H)-dione [ACD/IUPAC Name]
13-Amino-11-chloro-1,15,16-trihydroxy-4-méthoxy-12-méthyl-3,4,8a,13-tétrahydro-1H-chroméno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphto[2,1-g]isoquinoléine-14,17(2H,9H)-dione [French] [ACD/IUPAC Name]
1H-[1]Benzopyrano[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphth[2,1-g]isoquinoline-14,17(2H,9H)-dione, 13-amino-11-chloro-3,4,8a,13-tetrahydro-1,15,16-trihydroxy-4-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-11-chloro-3,4,8a,13-tetrahydro-1,15,16-trihydroxy-4-methoxy-12-methyl-, (1S-(1α,4α,8aα))-
37184-48-8 [RN]
37891-66-0 [RN]
Chloralbofungin
Chloroalbofungin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 878.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.7±3.0 kJ/mol
Flash Point: 484.9±37.1 °C
Index of Refraction: 1.793
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 30.93
ACD/KOC (pH 5.5): 362.64
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.88
Polar Surface Area: 161 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 104.7±5.0 dyne/cm
Molar Volume: 314.7±5.0 cm3

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