ChemSpider 2D Image | 7,16,18-Trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylene-20-oxatetracyclo[11.7.1.1~10,14~.0~1,16~]docosa-3,10(22),11,13-tetraene-15,21-dione | C25H27Cl3O5

7,16,18-Trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylene-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,10(22),11,13-tetraene-15,21-dione

  • Molecular FormulaC25H27Cl3O5
  • Average mass513.838 Da
  • Monoisotopic mass512.092407 Da
  • ChemSpider ID4943389
  • Double-bond stereo - Double-bond stereo


More details:






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

10a,7-[2]Octeno-10aH-naphtho[2,3-b]pyran-5,10-dione, 3,4a,16-trichloro-2,3,4,4a-tetrahydro-6,8-dihydroxy-2,2,13-trimethyl-17-methylene- [ACD/Index Name]
7,16,18-Trichlor-11,22-dihydroxy-4,19,19-trimethyl-8-methylen-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,10(22),11,13-tetraen-15,21-dion [German] [ACD/IUPAC Name]
7,16,18-Trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylene-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,10(22),11,13-tetraene-15,21-dione [ACD/IUPAC Name]
7,16,18-Trichloro-11,22-dihydroxy-4,19,19-triméthyl-8-méthylène-20-oxatétracyclo[11.7.1.110,14.01,16]docosa-3,10(22),11,13-tétraène-15,21-dione [French] [ACD/IUPAC Name]
7,18a-Methano-6,10-metheno-5H-cyclohexadeca(b)pyran-5,19-dione, 3,4a,13-trichloro-2,3,4,4a,11,12,13,14,15,18-decahydro-9,20-dihydroxy-2,2,16-trimethyl-12-methylene-
103106-19-0 [RN]
Napyradiomycin C2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 385.8±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 389914.22
ACD/KOC (pH 5.5): 315831.50
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 9723.19
ACD/KOC (pH 7.4): 7875.81
Polar Surface Area: 84 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 361.2±5.0 cm3

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