ChemSpider 2D Image | (2S,3aS,10aS,14aS,14bR)-12-Acetyl-8,9,10a,11,14a-pentahydroxy-2-(2-hydroxy-2-propanyl)-6-methoxy-2,3,14a,14b-tetrahydro-4H-tetraceno[6,5a-b]furan-4,10,13(10aH,14H)-trione | C26H26O12

(2S,3aS,10aS,14aS,14bR)-12-Acetyl-8,9,10a,11,14a-pentahydroxy-2-(2-hydroxy-2-propanyl)-6-methoxy-2,3,14a,14b-tetrahydro-4H-tetraceno[6,5a-b]furan-4,10,13(10aH,14H)-trione

  • Molecular FormulaC26H26O12
  • Average mass530.477 Da
  • Monoisotopic mass530.142456 Da
  • ChemSpider ID8825245

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3aS,10aS,14aS,14bR)-12-Acetyl-8,9,10a,11,14a-pentahydroxy-2-(2-hydroxy-2-propanyl)-6-methoxy-2,3,14a,14b-tetrahydro-4H-tetraceno[6,5a-b]furan-4,10,13(10aH,14H)-trion [German] [ACD/IUPAC Name]
(2S,3aS,10aS,14aS,14bR)-12-Acetyl-8,9,10a,11,14a-pentahydroxy-2-(2-hydroxy-2-propanyl)-6-methoxy-2,3,14a,14b-tetrahydro-4H-tetraceno[6,5a-b]furan-4,10,13(10aH,14H)-trione [ACD/IUPAC Name]
(2S,3aS,10aS,14aS,14bR)-12-Acétyl-8,9,10a,11,14a-pentahydroxy-2-(2-hydroxy-2-propanyl)-6-méthoxy-2,3,14a,14b-tétrahydro-4H-tétracéno[6,5a-b]furane-4,10,13(10aH,14H)-trione [French] [ACD/IUPAC Name]
4H-Naphthaceno[6,5a-b]furan-4,10,13(10aH,14H)-trione, 12-acetyl-2,3,14a,14b-tetrahydro-8,9,10a,11,14a-pentahydroxy-2-(1-hydroxy-1-methylethyl)-6-methoxy-, (2S,3aS,10aS,14aS,14bR)- [ACD/Index Name]
seragakinone A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 882.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 299.5±27.8 °C
Index of Refraction: 1.720
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 19.47
ACD/KOC (pH 5.5): 97.76
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 208 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 100.1±5.0 dyne/cm
Molar Volume: 311.8±5.0 cm3

Click to predict properties on the Chemicalize site


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