ChemSpider 2D Image | (3R,4S,5S,13aR,13bS)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione | C16H23NO6

(3R,4S,5S,13aR,13bS)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione

  • Molecular FormulaC16H23NO6
  • Average mass325.357 Da
  • Monoisotopic mass325.152527 Da
  • ChemSpider ID26563612
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3R,4S,5S,13aR,13bS)-4,5-Dihydroxy-3,4,5-trimethyl-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,4S,5S,13aR,13bS)-4,5-Dihydroxy-3,4,5-trimethyl-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,4S,5S,13aR,13bS)-4,5-Dihydroxy-3,4,5-triméthyl-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, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4S,5S,13aR,13bS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 537.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 278.7±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 80.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.16
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.09
Polar Surface Area: 96 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 239.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement