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Search term: 78441771 (Found by CSID)
ChemSpider 2D Image | (1S,2R,10R,12S,13R,15S,18R)-2,7,12,13,18-Pentahydroxy-15-methyl-19-oxapentacyclo[13.3.1.0~1,10~.0~3,8~.0~13,18~]nonadeca-3,5,7-triene-9,17-dione | C19H20O8

(1S,2R,10R,12S,13R,15S,18R)-2,7,12,13,18-Pentahydroxy-15-methyl-19-oxapentacyclo[13.3.1.01,10.03,8.013,18]nonadeca-3,5,7-triene-9,17-dione

  • Molecular FormulaC19H20O8
  • Average mass376.357 Da
  • Monoisotopic mass376.115814 Da
  • ChemSpider ID78441771

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2R,10R,12S,13R,15S,18R)-2,7,12,13,18-Pentahydroxy-15-methyl-19-oxapentacyclo[13.3.1.01,10.03,8.013,18]nonadeca-3,5,7-trien-9,17-dion [German] [ACD/IUPAC Name]
(1S,2R,10R,12S,13R,15S,18R)-2,7,12,13,18-Pentahydroxy-15-methyl-19-oxapentacyclo[13.3.1.01,10.03,8.013,18]nonadeca-3,5,7-triene-9,17-dione [ACD/IUPAC Name]
(1S,2R,10R,12S,13R,15S,18R)-2,7,12,13,18-Pentahydroxy-15-méthyl-19-oxapentacyclo[13.3.1.01,10.03,8.013,18]nonadéca-3,5,7-triène-9,17-dione [French] [ACD/IUPAC Name]
2,5-Methanoanthra[9a,1-b]pyran-4,8(6H,13H)-dione, 2,3,4a,5,7,7a-hexahydro-4a,5,6,9,13-pentahydroxy-2-methyl-, (2S,4aR,5R,6S,7aR,13R,13aS)- [ACD/Index Name]
Gephyromycin B

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

Density: 1.7±0.1 g/cm3
Boiling Point: 663.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 243.2±25.0 °C
Index of Refraction: 1.749
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.79
ACD/KOC (pH 5.5): 832.74
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 44.58
ACD/KOC (pH 7.4): 437.75
Polar Surface Area: 145 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 106.4±5.0 dyne/cm
Molar Volume: 217.2±5.0 cm3

Click to predict properties on the Chemicalize site


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