ChemSpider 2D Image | 11-Chloro-3-hydroxy-13-{[(2Z)-3-hydroxy-2-buten-2-yl]amino}-1,4-dimethoxy-12-methyl-3,4,8a,9-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,15,16,17(2H,13H)-t etrone | C32H29ClN2O11

11-Chloro-3-hydroxy-13-{[(2Z)-3-hydroxy-2-buten-2-yl]amino}-1,4-dimethoxy-12-methyl-3,4,8a,9-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,15,16,17(2H,13H)-t etrone

  • Molecular FormulaC32H29ClN2O11
  • Average mass653.032 Da
  • Monoisotopic mass652.145996 Da
  • ChemSpider ID4591063

  • Double-bond stereo - Double-bond stereo

More details:

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

11-Chlor-3-hydroxy-13-{[(2Z)-3-hydroxy-2-buten-2-yl]amino}-1,4-dimethoxy-12-methyl-3,4,8a,9-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isochinolin-14,15,16,17(2H,13H)-tet ron [German] [ACD/IUPAC Name]
11-Chloro-3-hydroxy-13-{[(2Z)-3-hydroxy-2-buten-2-yl]amino}-1,4-dimethoxy-12-methyl-3,4,8a,9-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,15,16,17(2H,13H)-t etrone [ACD/IUPAC Name]
11-Chloro-3-hydroxy-13-{[(2Z)-3-hydroxy-2-butén-2-yl]amino}-1,4-diméthoxy-12-méthyl-3,4,8a,9-tétrahydro-1H-chroméno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphto[2,1-g]isoquinoléine-14,15,16,17(2H,13H)-t étrone [French] [ACD/IUPAC Name]
1H-[1]Benzopyrano[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphth[2,1-g]isoquinoline-14,15,16,17(2H,13H)-tetrone, 11-chloro-3,4,8a,9-tetrahydro-3-hydroxy-13-[[(1Z)-2-hydroxy-1-methyl-1-propen-1-yl]amino]-1 ,4-dimethoxy-12-methyl- [ACD/Index Name]
116200-79-4 [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-methyl-2-oxopropylidene)amino)-, (1S-(1α,3α,4β,8aα))-
Actinoplanone F

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

Density: 1.6±0.1 g/cm3
Boiling Point: 846.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.9±6.0 kJ/mol
Flash Point: 465.8±37.1 °C
Index of Refraction: 1.703
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.60
ACD/KOC (pH 5.5): 282.05
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.60
ACD/KOC (pH 7.4): 282.05
Polar Surface Area: 170 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 402.9±5.0 cm3

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