ChemSpider 2D Image | (1R,4S,4'R)-2-Chloro-1,4',7-trihydroxy-3,9-dimethoxy-1-methyl-3',4'-dihydro-1H,5'H,6H-spiro[benzo[c]chromene-4,2'-furan]-5',6-dione | C19H17ClO9

(1R,4S,4'R)-2-Chloro-1,4',7-trihydroxy-3,9-dimethoxy-1-methyl-3',4'-dihydro-1H,5'H,6H-spiro[benzo[c]chromene-4,2'-furan]-5',6-dione

  • Molecular FormulaC19H17ClO9
  • Average mass424.786 Da
  • Monoisotopic mass424.056122 Da
  • ChemSpider ID40256867

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,4S,4'R)-2-Chloro-1,4',7-trihydroxy-3,9-dimethoxy-1-methyl-3',4'-dihydro-1H,5'H,6H-spiro[benzo[c]chromene-4,2'-furan]-5',6-dione [ACD/IUPAC Name]
Spiro[1H-dibenzo[b,d]pyran-4(6H),2'(5'H)-furan]-5',6-dione, 2-chloro-3',4'-dihydro-1,4',7-trihydroxy-3,9-dimethoxy-1-methyl-, (1R,4S,4'R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 795.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 435.0±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 106.37
ACD/KOC (pH 5.5): 968.23
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 21.39
ACD/KOC (pH 7.4): 194.72
Polar Surface Area: 132 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 81.0±5.0 dyne/cm
Molar Volume: 254.4±5.0 cm3

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