ChemSpider 2D Image | 11-Chloro-3,15,16-trihydroxy-13-(isopropylideneamino)-1,4-dimethoxy-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 | C31H29ClN2O10

11-Chloro-3,15,16-trihydroxy-13-(isopropylideneamino)-1,4-dimethoxy-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 FormulaC31H29ClN2O10
  • Average mass625.022 Da
  • Monoisotopic mass624.151062 Da
  • ChemSpider ID4591067

More details:






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

11-Chlor-3,15,16-trihydroxy-13-(isopropylidenamino)-1,4-dimethoxy-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]
11-Chloro-3,15,16-trihydroxy-13-(isopropylideneamino)-1,4-dimethoxy-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]
11-Chloro-3,15,16-trihydroxy-13-(isopropylidèneamino)-1,4-diméthoxy-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, 11-chloro-3,4,8a,13-tetrahydro-3,15,16-trihydroxy-1,4-dimethoxy-12-methyl-13-[(1-methylethylidene)am ino]- [ACD/Index Name]
116229-70-0 [RN]
1H-Xantheno(4',3',2':4,5)(1,3)benzodioxino(7,6-g)isoquinoline-14,17(2H,9H)-dione, 11-chloro-3,4,8a,13-tetrahydro-3,15,16-trihydroxy-1,4-dimethoxy-12-methyl-13-((1-methylethylidene)amino)-, (1S-(1α,3α,4β,8aα))-
Actinoplanone E

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 874.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.2±3.0 kJ/mol
Flash Point: 482.9±37.1 °C
Index of Refraction: 1.741
Molar Refractivity: 149.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 123.08
ACD/KOC (pH 5.5): 975.64
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.21
Polar Surface Area: 157 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 370.3±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement