ChemSpider 2D Image | seragakinone A | C26H26O12

seragakinone A

  • Molecular FormulaC26H26O12
  • Average mass530.477 Da
  • Monoisotopic mass530.142456 Da
  • ChemSpider ID10255196

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3aS,10aR,12E,14aS,14bR)-8,10,10a,14a-Tetrahydroxy-12-(1-hydroxyethyliden)-2-(2-hydroxy-2-propanyl)-6-methoxy-2,3,14a,14b-tetrahydro-4H-tetraceno[6,5a-b]furan-4,9,11,13(10aH,12H,14H)-tetron [German] [ACD/IUPAC Name]
(2S,3aS,10aR,12E,14aS,14bR)-8,10,10a,14a-Tetrahydroxy-12-(1-hydroxyethylidene)-2-(2-hydroxy-2-propanyl)-6-methoxy-2,3,14a,14b-tetrahydro-4H-tetraceno[6,5a-b]furan-4,9,11,13(10aH,12H,14H)-tetrone [ACD/IUPAC Name]
(2S,3aS,10aR,12E,14aS,14bR)-8,10,10a,14a-Tétrahydroxy-12-(1-hydroxyéthylidène)-2-(2-hydroxy-2-propanyl)-6-méthoxy-2,3,14a,14b-tétrahydro-4H-tétracéno[6,5a-b]furane-4,9,11,13(10aH,12H,14H)-tétrone [French] [ACD/IUPAC Name]
4H-Naphthaceno[6,5a-b]furan-4,9,11,13(10aH,12H,14H)-tetrone, 2,3,14a,14b-tetrahydro-8,10,10a,14a-tetrahydroxy-12-(1-hydroxyethylidene)-2-(1-hydroxy-1-methylethyl)-6-methoxy-, (2S,3aS,10aR,12E,14aS,14b R)- [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: 890.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.7±3.0 kJ/mol
Flash Point: 302.5±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: 2
#Rule of 5 Violations: 4
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 7.81
ACD/KOC (pH 5.5): 42.88
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
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


Advertisement