ChemSpider 2D Image | (5S,5'S,6R,6'R,7S,7'S,8R,8'R)-4,4',5,5',6,6',7,7',8,8'-Decahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,5',6,6',7,7',8,8'-octahydro-1,1'-bianthracene-9,9',10,10'-tetrone | C32H30O16

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

  • Molecular FormulaC32H30O16
  • Average mass670.571 Da
  • Monoisotopic mass670.153381 Da
  • ChemSpider ID169379
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(5S,5'S,6R,6'R,7S,7'S,8R,8'R)-4,4',5,5',6,6',7,7',8,8'-Decahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,5',6,6',7,7',8,8'-octahydro-1,1'-bianthracen-9,9',10,10'-tetron [German] [ACD/IUPAC Name]
(5S,5'S,6R,6'R,7S,7'S,8R,8'R)-4,4',5,5',6,6',7,7',8,8'-Decahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,5',6,6',7,7',8,8'-octahydro-1,1'-bianthracene-9,9',10,10'-tetrone [ACD/IUPAC Name]
(5S,5'S,6R,6'R,7S,7'S,8R,8'R)-4,4',5,5',6,6',7,7',8,8'-Décahydroxy-2,2'-diméthoxy-7,7'-diméthyl-5,5',6,6',7,7',8,8'-octahydro-1,1'-bianthracène-9,9',10,10'-tétrone [French] [ACD/IUPAC Name]
[1,1'-Bianthracene]-9,9',10,10'-tetrone, 5,5',6,6',7,7',8,8'-octahydro-4,4',5,5',6,6',7,7',8,8'-decahydroxy-2,2'-dimethoxy-7,7'-dimethyl-, (5S,5'S,6R,6'R,7S,7'S,8R,8'R)- [ACD/Index Name]
(5S,5'S,6R,6'R,7S,7'S,8R,8'R)-4,4',5,5',6,6',7,7',8,8'-decahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5H,5'H,6H,6'H,7H,7'H,8H,8'H,9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetrone
(5S,5'S,6R,6'R,7S,7'S,8R,8'R)-4,4',5,5',6,6',7,7',8,8'-decahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5H,5'H,6H,6'H,8H,8'H-[1,1'-bianthracene]-9,9',10,10'-tetrone
119644-07-4 [RN]
119718-06-8 [RN]
Alterporriol D
Alterporriol E

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1022.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.4±3.0 kJ/mol
Flash Point: 330.5±27.8 °C
Index of Refraction: 1.806
Molar Refractivity: 153.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.81
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 134.3±5.0 dyne/cm
Molar Volume: 358.0±5.0 cm3

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