ChemSpider 2D Image | Peroxisomicine A2 | C30H26O8

Peroxisomicine A2

  • Molecular FormulaC30H26O8
  • Average mass514.523 Da
  • Monoisotopic mass514.162781 Da
  • ChemSpider ID337911

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2'R,6S)-1,2',5',6,9,10'-Hexahydroxy-2',6-dimethyl-2',3',6,7-tetrahydro-2,9'-bianthracen-4',8(1'H,5H)-dion [German] [ACD/IUPAC Name]
(2'R,6S)-1,2',5',6,9,10'-Hexahydroxy-2',6-dimethyl-2',3',6,7-tetrahydro-2,9'-bianthracene-4',8(1'H,5H)-dione [ACD/IUPAC Name]
(2'R,6S)-1,2',5',6,9,10'-Hexahydroxy-2',6-diméthyl-2',3',6,7-tétrahydro-2,9'-bianthracène-4',8(1'H,5H)-dione [French] [ACD/IUPAC Name]
[2,9'-Bianthracene]-4',8(1'H,5H)-dione, 2',3',6,7-tetrahydro-1,2',5',6,9,10'-hexahydroxy-2',6-dimethyl-, (2'R,6S)- [ACD/Index Name]
156768-16-0 [RN]
Peroxisomicine A2
(2,9'-Bianthracene-4',8(1'H,5H)-dione, 2',3',6,7-tetrahydro-2',6-dimethyl-1,2',5',6,9,10'-hexahydroxy-
(3R)-3,8,9-trihydroxy-3-methyl-10-[(6S)-1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,4-dihydroanthracen-1-one
(3R)-3,8,9-trihydroxy-3-methyl-10-[(6S)-1,6,9-trihydroxy-8-keto-6-methyl-5,7-dihydroanthracen-2-yl]-2,4-dihydroanthracen-1-one
Diast T-514
More...

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

5WSH25U3R5 [DBID]
UNII:5WSH25U3R5 [DBID]
NCI60_023610 [DBID]
NSC667839 [DBID]
UNII-5WSH25U3R5 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 826.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 467.3±30.8 °C
Index of Refraction: 1.781
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 5.63
ACD/KOC (pH 5.5): 26.04
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 86.7±3.0 dyne/cm
Molar Volume: 334.1±3.0 cm3

Click to predict properties on the Chemicalize site


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