ChemSpider 2D Image | (5S,6R,7R,8R)-4,4',5,6,6',7,8-Heptahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,6,7,8-tetrahydro-1,1'-bianthracene-9,9',10,10'-tetrone | C32H26O13

(5S,6R,7R,8R)-4,4',5,6,6',7,8-Heptahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,6,7,8-tetrahydro-1,1'-bianthracene-9,9',10,10'-tetrone

  • Molecular FormulaC32H26O13
  • Average mass618.541 Da
  • Monoisotopic mass618.137329 Da
  • ChemSpider ID128748
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(5S,6R,7R,8R)-4,4',5,6,6',7,8-Heptahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,6,7,8-tetrahydro-1,1'-bianthracen-9,9',10,10'-tetron [German] [ACD/IUPAC Name]
(5S,6R,7R,8R)-4,4',5,6,6',7,8-Heptahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,6,7,8-tetrahydro-1,1'-bianthracene-9,9',10,10'-tetrone [ACD/IUPAC Name]
(5S,6R,7R,8R)-4,4',5,6,6',7,8-Heptahydroxy-2,2'-diméthoxy-7,7'-diméthyl-5,6,7,8-tétrahydro-1,1'-bianthracène-9,9',10,10'-tétrone [French] [ACD/IUPAC Name]
[1,1'-Bianthracene]-9,9',10,10'-tetrone, 5,6,7,8-tetrahydro-4,4',5,6,6',7,8-heptahydroxy-2,2'-dimethoxy-7,7'-dimethyl-, (5S,6R,7R,8R)- [ACD/Index Name]
(1,1'-Bianthracene)-9,9',10,10'-tetrone, 5,6,7,8-tetrahydro-4,4',5,6,6',7,8-heptahydroxy-2,2'-dimethoxy-7,7'-dimethyl-, (5S-(5α,6β,7β,8α))-
(5S,6R,7R,8R)-4,4',5,6,6',7,8-HEPTAHYDROXY-2,2'-DIMETHOXY-7,7'-DIMETHYL-6,7,8,9-TETRAHYDRO-5H,9'H,10H,10'H-[1,1'-BIANTHRACENE]-9,9',10,10'-TETRONE
(5S,6R,7R,8R)-4,4',5,6,6',7,8-HEPTAHYDROXY-2,2'-DIMETHOXY-7,7'-DIMETHYL-6,8-DIHYDRO-5H-[1,1'-BIANTHRACENE]-9,9',10,10'-TETRONE
88901-69-3 [RN]
Alterporriol B
Ap-B 3

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

Density: 1.8±0.1 g/cm3
Boiling Point: 945.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.1±3.0 kJ/mol
Flash Point: 310.0±27.8 °C
Index of Refraction: 1.793
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 186.89
ACD/KOC (pH 5.5): 921.30
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 117.9±5.0 dyne/cm
Molar Volume: 350.5±5.0 cm3

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