Found 18 results

Search term: MF = 'C_{34}H_{34}O_{14}'
ChemSpider 2D Image | phomoxanthone E | C34H34O14

phomoxanthone E

  • Molecular FormulaC34H34O14
  • Average mass666.625 Da
  • Monoisotopic mass666.194885 Da
  • ChemSpider ID71048890

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S,5'S,6S,6'S,10aS,10a'S)-10a'-(Acetoxymethyl)-1,1',5',8,8'-pentahydroxy-10a-(hydroxymethyl)-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthen-5-yl acetate [ACD/IUPAC Name]
(5S,5'S,6S,6'S,10aS,10a'S)-10a'-(Acetoxymethyl)-1,1',5',8,8'-pentahydroxy-10a-(hydroxymethyl)-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthen-5-yl-acetat [German] [ACD/IUPAC Name]
[7,7'-Bi-3H-xanthene]-9,9'(2H,2'H)-dione, 4-(acetyloxy)-4'a-[(acetyloxy)methyl]-4,4',4a,4'a-tetrahydro-1,1',4',8,8'-pentahydroxy-4a-(hydroxymethyl)-3,3'-dimethyl-, (3S,3'S,4S,4'S,4aS,4a'S)- [ACD/Index Name]
Acétate de (5S,5'S,6S,6'S,10aS,10a'S)-10a'-(acétoxyméthyl)-1,1',5',8,8'-pentahydroxy-10a-(hydroxyméthyl)-6,6'-diméthyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthén-5-yle [French] [ACD/IUPAC Name]
phomoxanthone E

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

Density: 1.6±0.1 g/cm3
Boiling Point: 876.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 279.2±27.8 °C
Index of Refraction: 1.706
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 15.57
ACD/KOC (pH 5.5): 84.08
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 92.2±5.0 dyne/cm
Molar Volume: 412.8±5.0 cm3

Click to predict properties on the Chemicalize site


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