Found 39 results

Search term: MF = 'C_{34}H_{36}O_{4}'
ChemSpider 2D Image | Diethyl (4R,5S,6S,7R,8S,9R,10S,11R,12S,13R,14R,15S)-nonacyclo[16.8.2.0~3,24~.0~4,15~.0~5,14~.0~6,13~.0~7,12~.0~8,11~.0~16,21~]octacosa-1(26),2,16,18,20,24-hexaene-9,10-dicarboxylate | C34H36O4

Diethyl (4R,5S,6S,7R,8S,9R,10S,11R,12S,13R,14R,15S)-nonacyclo[16.8.2.03,24.04,15.05,14.06,13.07,12.08,11.016,21]octacosa-1(26),2,16,18,20,24-hexaene-9,10-dicarboxylate

  • Molecular FormulaC34H36O4
  • Average mass508.647 Da
  • Monoisotopic mass508.261353 Da
  • ChemSpider ID9516110

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(4R,5S,6S,7R,8S,9R,10S,11R,12S,13R,14R,15S)-Nonacyclo[16.8.2.03,24.04,15.05,14.06,13.07,12.08,11.016,21]octacosa-1(26),2,16,18,20,24-hexaène-9,10-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
2,9-Ethanodibenzo[a,e]cyclobuta[3''',4''']cyclobuta[1''',2''':3'',4'']cyclobuta[1'',2'':3',4']cyclobuta[1',2':3,4]cyclobuta[1,2-c]cyclooctene-11,12-dicarboxylic acid, 5,6,10b,10c,10d,10e,10f,11,12,12a ,12b,12c,12d,12e-tetradecahydro-, diethyl ester, (10bR,10cS,10dS,10eR,10fS,11R,12S,12aR,12bS,12cR,12dR,12eS)- [ACD/Index Name]
Diethyl (4R,5S,6S,7R,8S,9R,10S,11R,12S,13R,14R,15S)-nonacyclo[16.8.2.03,24.04,15.05,14.06,13.07,12.08,11.016,21]octacosa-1(26),2,16,18,20,24-hexaene-9,10-dicarboxylate [ACD/IUPAC Name]
Diethyl-(4R,5S,6S,7R,8S,9R,10S,11R,12S,13R,14R,15S)-nonacyclo[16.8.2.03,24.04,15.05,14.06,13.07,12.08,11.016,21]octacosa-1(26),2,16,18,20,24-hexaen-9,10-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 7.77
ACD/BCF (pH 5.5): 473591.69
ACD/KOC (pH 5.5): 401814.72
ACD/LogD (pH 7.4): 7.77
ACD/BCF (pH 7.4): 473591.69
ACD/KOC (pH 7.4): 401814.72
Polar Surface Area: 53 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 403.6±3.0 cm3

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