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Search term: 78439412 (Found by CSID)
ChemSpider 2D Image | (1S,5'R,6'R,7'S)-7'-Chloro-4',5,5',6'-tetrahydroxy-2,3,6',7'-tetrahydro-1,1'-binaphthalene-4,8'(1H,5'H)-dione | C20H17ClO6

(1S,5'R,6'R,7'S)-7'-Chloro-4',5,5',6'-tetrahydroxy-2,3,6',7'-tetrahydro-1,1'-binaphthalene-4,8'(1H,5'H)-dione

  • Molecular FormulaC20H17ClO6
  • Average mass388.798 Da
  • Monoisotopic mass388.071381 Da
  • ChemSpider ID78439412

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,5'R,6'R,7'S)-7'-Chlor-4',5,5',6'-tetrahydroxy-2,3,6',7'-tetrahydro-1,1'-binaphthalin-4,8'(1H,5'H)-dion [German] [ACD/IUPAC Name]
(1S,5'R,6'R,7'S)-7'-Chloro-4',5,5',6'-tétrahydroxy-2,3,6',7'-tétrahydro-1,1'-binaphtalène-4,8'(1H,5'H)-dione [French] [ACD/IUPAC Name]
(1S,5'R,6'R,7'S)-7'-Chloro-4',5,5',6'-tetrahydroxy-2,3,6',7'-tetrahydro-1,1'-binaphthalene-4,8'(1H,5'H)-dione [ACD/IUPAC Name]
[1,1'-Binaphthalene]-4,8'(1H,5'H)-dione, 7'-chloro-2,3,6',7'-tetrahydro-4',5,5',6'-tetrahydroxy-, (1S,5'R,6'R,7'S)- [ACD/Index Name]
2-chloro-cladosporol D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 634.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 337.5±31.5 °C
Index of Refraction: 1.734
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.48
ACD/KOC (pH 5.5): 429.33
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 28.22
ACD/KOC (pH 7.4): 361.91
Polar Surface Area: 115 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 92.5±5.0 dyne/cm
Molar Volume: 238.4±5.0 cm3

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