ChemSpider 2D Image | (3R,8aS)-5-Isobutyl-3-(tridecyloxy)-8,8a-dihydro-1H,6H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one 3-oxide | C23H41O6P

(3R,8aS)-5-Isobutyl-3-(tridecyloxy)-8,8a-dihydro-1H,6H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one 3-oxide

  • Molecular FormulaC23H41O6P
  • Average mass444.542 Da
  • Monoisotopic mass444.264069 Da
  • ChemSpider ID35516694

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,8aS) 3-Oxyde de 5-isobutyl-3-(tridécyloxy)-8,8a-dihydro-1H,6H-furo[3,4-e][1,3,2]dioxaphosphépin-6-one [French] [ACD/IUPAC Name]
(3R,8aS)-5-Isobutyl-3-(tridecyloxy)-8,8a-dihydro-1H,6H-furo[3,4-e][1,3,2]dioxaphosphepin-6-on-3-oxid [German] [ACD/IUPAC Name]
(3R,8aS)-5-Isobutyl-3-(tridecyloxy)-8,8a-dihydro-1H,6H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one 3-oxide [ACD/IUPAC Name]
1H,6H-Furo[3,4-e][1,3,2]dioxaphosphepin-6-one, 8,8a-dihydro-5-(2-methylpropyl)-3-(tridecyloxy)-, 3-oxide, (3R,8aS)- [ACD/Index Name]
Salinipostin E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 283.0±50.4 °C
Index of Refraction: 1.487
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 77813.02
ACD/KOC (pH 5.5): 110305.05
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77813.02
ACD/KOC (pH 7.4): 110305.05
Polar Surface Area: 81 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 409.4±5.0 cm3

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