Found 28 results

Search term: MF = 'C_{39}H_{52}O_{7}'
ChemSpider 2D Image | (4aR,5aS,9aS,10S,10aR)-10-(Benzyloxy)-8-[2-(1,3-dioxolan-2-yl)ethyl]-9a-methyl-2-{3-[(pentamethylbenzyl)oxy]propyl}-4a,5a,6,9a,10,10a-hexahydro-4H-dipyrano[3,2-b:2',3'-e]pyran | C39H52O7

(4aR,5aS,9aS,10S,10aR)-10-(Benzyloxy)-8-[2-(1,3-dioxolan-2-yl)ethyl]-9a-methyl-2-{3-[(pentamethylbenzyl)oxy]propyl}-4a,5a,6,9a,10,10a-hexahydro-4H-dipyrano[3,2-b:2',3'-e]pyran

  • Molecular FormulaC39H52O7
  • Average mass632.826 Da
  • Monoisotopic mass632.371277 Da
  • ChemSpider ID9731183

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4aR,5aS,9aS,10S,10aR)-10-(Benzyloxy)-8-[2-(1,3-dioxolan-2-yl)ethyl]-9a-methyl-2-{3-[(pentamethylbenzyl)oxy]propyl}-4a,5a,6,9a,10,10a-hexahydro-4H-dipyrano[3,2-b:2',3'-e]pyran [ACD/IUPAC Name]
(4aR,5aS,9aS,10S,10aR)-10-(Benzyloxy)-8-[2-(1,3-dioxolan-2-yl)ethyl]-9a-methyl-2-{3-[(pentamethylbenzyl)oxy]propyl}-4a,5a,6,9a,10,10a-hexahydro-4H-dipyrano[3,2-b:2',3'-e]pyran [German] [ACD/IUPAC Name]
(4aR,5aS,9aS,10S,10aR)-10-(Benzyloxy)-8-[2-(1,3-dioxolan-2-yl)éthyl]-9a-méthyl-2-{3-[(pentaméthylbenzyl)oxy]propyl}-4a,5a,6,9a,10,10a-hexahydro-4H-dipyrano[3,2-b:2',3'-e]pyrane [French] [ACD/IUPAC Name]
D-glycero-D-gulo-Undeca-1,10-dienitol, 1,5:4,8:7,11-trianhydro-2,3,9,10-tetradeoxy-1-C-[2-(1,3-dioxolan-2-yl)ethyl]-5-C-methyl-11-C-[3-[(2,3,4,5,6-pentamethylphenyl)methoxy]propyl]-6-O-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 733.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 269.2±32.8 °C
Index of Refraction: 1.578
Molar Refractivity: 179.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 7.44
ACD/BCF (pH 5.5): 265963.97
ACD/KOC (pH 5.5): 265865.88
ACD/LogD (pH 7.4): 7.44
ACD/BCF (pH 7.4): 265963.97
ACD/KOC (pH 7.4): 265865.88
Polar Surface Area: 65 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 541.7±5.0 cm3

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