ChemSpider 2D Image | (9R,9aS,18cS)-4,5,9,12,14-Pentahydroxy-7-methyl-10,18c-dihydronaphtho[2',3':3a,4]indeno[1,2-a]anthracene-3,13,18(9H)-trione | C30H20O8

(9R,9aS,18cS)-4,5,9,12,14-Pentahydroxy-7-methyl-10,18c-dihydronaphtho[2',3':3a,4]indeno[1,2-a]anthracene-3,13,18(9H)-trione

  • Molecular FormulaC30H20O8
  • Average mass508.475 Da
  • Monoisotopic mass508.115814 Da
  • ChemSpider ID78438034

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(9R,9aS,18cS)-4,5,9,12,14-Pentahydroxy-7-methyl-10,18c-dihydronaphtho[2',3':3a,4]indeno[1,2-a]anthracen-3,13,18(9H)-trion [German] [ACD/IUPAC Name]
(9R,9aS,18cS)-4,5,9,12,14-Pentahydroxy-7-methyl-10,18c-dihydronaphtho[2',3':3a,4]indeno[1,2-a]anthracene-3,13,18(9H)-trione [ACD/IUPAC Name]
(9R,9aS,18cS)-4,5,9,12,14-Pentahydroxy-7-méthyl-10,18c-dihydronaphto[2',3':3a,4]indéno[1,2-a]anthracène-3,13,18(9H)-trione [French] [ACD/IUPAC Name]
Cyclopenta[1,2-a:5,4-d']dianthracene-3,13,18(9H)-trione, 10,18c-dihydro-4,5,9,12,14-pentahydroxy-7-methyl-, (9R,9aS,18cS)- [ACD/Index Name]
Torrubiellin A

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

Density: 1.8±0.1 g/cm3
Boiling Point: 833.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 471.7±30.8 °C
Index of Refraction: 1.861
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 1297.31
ACD/KOC (pH 5.5): 2288.48
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 152 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 119.0±5.0 dyne/cm
Molar Volume: 290.2±5.0 cm3

Click to predict properties on the Chemicalize site


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