Found 27 results

Search term: MF = 'C_{28}H_{34}O_{12}'
ChemSpider 2D Image | Diethyl (4aR,6S,6aS,16aS,16bR)-6-methoxy-8,15-dioxo-2-phenyl-4,4a,6,6a,8,9,10,13,14,15,16a,16b-dodecahydro[1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4]dioxacyclododecine-9,14-dicarboxylate (non-preferred name) | C28H34O12

Diethyl (4aR,6S,6aS,16aS,16bR)-6-methoxy-8,15-dioxo-2-phenyl-4,4a,6,6a,8,9,10,13,14,15,16a,16b-dodecahydro[1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4]dioxacyclododecine-9,14-dicarboxylate (non-preferred name)

  • Molecular FormulaC28H34O12
  • Average mass562.562 Da
  • Monoisotopic mass562.205017 Da
  • ChemSpider ID5045370

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(4aR,6S,6aS,16aS,16bR)-6-Méthoxy-8,15-dioxo-2-phényl-4,4a,6,6a,8,9,10,13,14,15,16a,16b-dodécahydro[1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4]dioxacyclododécine-9,14-dicarboxylate de diéthyle (non-prefer red name) [French] [ACD/IUPAC Name]
Diethyl (4aR,6S,6aS,16aS,16bR)-6-methoxy-8,15-dioxo-2-phenyl-4,4a,6,6a,8,9,10,13,14,15,16a,16b-dodecahydro[1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4]dioxacyclododecine-9,14-dicarboxylate (non-preferred name) [ACD/IUPAC Name]
Diethyl-(4aR,6S,6aS,16aS,16bR)-6-methoxy-8,15-dioxo-2-phenyl-4,4a,6,6a,8,9,10,13,14,15,16a,16b-dodecahydro[1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4]dioxacyclododecin-9,14-dicarboxylat (non-preferred na me) [German] [ACD/IUPAC Name]

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

CBiol_000637 [DBID]
ICCB3_000285 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 303.2±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 264.09
ACD/KOC (pH 5.5): 1884.04
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.03
ACD/KOC (pH 7.4): 1883.62
Polar Surface Area: 142 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 425.8±5.0 cm3

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