ChemSpider 2D Image | 3,4-Dideoxy-4-[(5S,5aR,5bR,7aS,8S,10bR,11R,12aR)-5,11-diacetoxy-1,1,5a,7a,10b-pentamethyl-3-oxo-3,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-c]oxepin-8-yl]-1-C-(2- hydroxy-2-propanyl)-alpha-L-threo-pentopyranose | C34H52O10

3,4-Dideoxy-4-[(5S,5aR,5bR,7aS,8S,10bR,11R,12aR)-5,11-diacetoxy-1,1,5a,7a,10b-pentamethyl-3-oxo-3,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-c]oxepin-8-yl]-1-C-(2- hydroxy-2-propanyl)-α-L-threo-pentopyranose

  • Molecular FormulaC34H52O10
  • Average mass620.771 Da
  • Monoisotopic mass620.356018 Da
  • ChemSpider ID30831767

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

3,4-Dideoxy-4-[(5S,5aR,5bR,7aS,8S,10bR,11R,12aR)-5,11-diacetoxy-1,1,5a,7a,10b-pentamethyl-3-oxo-3,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-c]oxepin-8-yl]-1-C-(2- ;hydroxy-2-propanyl)-α-L-threo-pentopyranose [ACD/IUPAC Name]
3,4-Didesoxy-4-[(5S,5aR,5bR,7aS,8S,10bR,11R,12aR)-5,11-diacetoxy-1,1,5a,7a,10b-pentamethyl-3-oxo-3,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-c]oxepin-8-yl]-1-C-(2 ;-hydroxy-2-propanyl)-α-L-threo-pentopyranose [German] [ACD/IUPAC Name]
3,4-Didésoxy-4-[(5S,5aR,5bR,7aS,8S,10bR,11R,12aR)-5,11-diacétoxy-1,1,5a,7a,10b-pentaméthyl-3-oxo-3,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tétradécahydro-1H-cyclopenta[5,6]naphto[2,1-c]oxépin-8-yl]-1-C-(2- ;hydroxy-2-propanyl)-α-L-thréo-pentopyranose [French] [ACD/IUPAC 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: 703.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 213.8±26.4 °C
Index of Refraction: 1.562
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1032.78
ACD/KOC (pH 5.5): 5000.66
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1032.78
ACD/KOC (pH 7.4): 5000.64
Polar Surface Area: 149 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 495.5±5.0 cm3

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