ChemSpider 2D Image | (3R,4R,5R,13aR,13bR)-4,5-Dihydroxy-3-isopropyl-4,5-dimethyl(8,8,10,10-~2~H_4_)-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione | C18H23D4NO6

(3R,4R,5R,13aR,13bR)-4,5-Dihydroxy-3-isopropyl-4,5-dimethyl(8,8,10,10-2H4)-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione

  • Molecular FormulaC18H23D4NO6
  • Average mass357.435 Da
  • Monoisotopic mass357.208954 Da
  • ChemSpider ID58783319

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,4R,5R,13aR,13bR)-4,5-Dihydroxy-3-isopropyl-4,5-dimethyl(8,8,10,10-2H4)-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizin-2,6(3H)-dion [German] [ACD/IUPAC Name]
(3R,4R,5R,13aR,13bR)-4,5-Dihydroxy-3-isopropyl-4,5-dimethyl(8,8,10,10-2H4)-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione [ACD/IUPAC Name]
(3R,4R,5R,13aR,13bR)-4,5-Dihydroxy-3-isopropyl-4,5-diméthyl(8,8,10,10-2H4)-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundécino[2,3,4-gh]pyrrolizine-2,6(3H)-dione [French] [ACD/IUPAC Name]
2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione-8,10-d2, 4,5,8,10,12,13,13a,13b-octahydro-8,10-d2-4,5-dihydroxy-4,5-dimethyl-3-(1-methylethyl)-, (3R,4R,5R,13aR,13bR)- [ACD/Index 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: 546.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 284.3±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 89.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.23
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 79.76
Polar Surface Area: 96 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 272.4±5.0 cm3

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