ChemSpider 2D Image | nidurufin | C20H16O8

nidurufin

  • Molecular FormulaC20H16O8
  • Average mass384.336 Da
  • Monoisotopic mass384.084503 Da
  • ChemSpider ID25933167

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(±)-nidurufin
(1R,17S,20S)-3,7,9,20-Tetrahydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6,8,10,13-hexaen-5,12-dion [German] [ACD/IUPAC Name]
(1R,17S,20S)-3,7,9,20-Tetrahydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione [ACD/IUPAC Name]
(1R,17S,20S)-3,7,9,20-Tétrahydroxy-17-méthyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]hénicosa-2(15),3,6,8,10,13-hexaène-5,12-dione [French] [ACD/IUPAC Name]
179MH70VI4
2,6-Epoxy-2H-anthra[2,3-b]oxocin-8,13-dione, 3,4,5,6-tetrahydro-5,7,9,11-tetrahydroxy-2-methyl-, (2S,5S,6R)- [ACD/Index Name]
28458-23-3 [RN]
99528-66-2 [RN]
HD19P3267B
nidurufin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 659.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 241.2±25.0 °C
Index of Refraction: 1.748
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 107.41
ACD/KOC (pH 5.5): 800.34
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 134 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 91.1±3.0 dyne/cm
Molar Volume: 229.2±3.0 cm3

Click to predict properties on the Chemicalize site


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