Found 18 results

Search term: MF = 'C_{34}H_{34}O_{14}'
ChemSpider 2D Image | Dimethyl (5S,5'S,6S,8a'S,10aR,10a'R)-5'-acetoxy-1,1',5,9-tetrahydroxy-3',6-dimethyl-8,9'-dioxo-5,5',6,6',7,7',8,8',8a',9'-decahydro-10aH,10a'H-2,4'-bixanthene-10a,10a'-dicarboxylate | C34H34O14

Dimethyl (5S,5'S,6S,8a'S,10aR,10a'R)-5'-acetoxy-1,1',5,9-tetrahydroxy-3',6-dimethyl-8,9'-dioxo-5,5',6,6',7,7',8,8',8a',9'-decahydro-10aH,10a'H-2,4'-bixanthene-10a,10a'-dicarboxylate

  • Molecular FormulaC34H34O14
  • Average mass666.625 Da
  • Monoisotopic mass666.194885 Da
  • ChemSpider ID8071714

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S,5'S,6S,8a'S,10aR,10a'R)-5'-Acétoxy-1,1',5,9-tétrahydroxy-3',6-diméthyl-8,9'-dioxo-5,5',6,6',7,7',8,8',8a',9'-décahydro-10aH,10a'H-2,4'-bixanthène-10a,10a'-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
[5,7'-Bi-1H-xanthene]-4a,4'a(2H,2'H)-dicarboxylic acid, 4-(acetyloxy)-3,3',4,4',9,9a-hexahydro-4',8,8',9'-tetrahydroxy-3',6-dimethyl-1',9-dioxo-, dimethyl ester, (3'S,4S,4'S,4aR,4a'R,9aS)- [ACD/Index Name]
Dimethyl (5S,5'S,6S,8a'S,10aR,10a'R)-5'-acetoxy-1,1',5,9-tetrahydroxy-3',6-dimethyl-8,9'-dioxo-5,5',6,6',7,7',8,8',8a',9'-decahydro-10aH,10a'H-2,4'-bixanthene-10a,10a'-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(5S,5'S,6S,8a'S,10aR,10a'R)-5'-acetoxy-1,1',5,9-tetrahydroxy-3',6-dimethyl-8,9'-dioxo-5,5',6,6',7,7',8,8',8a',9'-decahydro-10aH,10a'H-2,4'-bixanthen-10a,10a'-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 830.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 263.5±27.8 °C
Index of Refraction: 1.671
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 160.56
ACD/KOC (pH 5.5): 537.56
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.72
Polar Surface Area: 212 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 82.5±5.0 dyne/cm
Molar Volume: 427.6±5.0 cm3

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