ChemSpider 2D Image | (3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-3-{[(2S,3R,4S,5R)-4-Hydroxy-3,5-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-17-[(2R,3E)-6-hydroxy-5-methyl-3-hexen-2-yl]-10,13-dimethylhexadecahydro-8H-cyclopenta[a] phenanthrene-4,6,8,15-tetrol | C33H56O10

(3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-3-{[(2S,3R,4S,5R)-4-Hydroxy-3,5-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-17-[(2R,3E)-6-hydroxy-5-methyl-3-hexen-2-yl]-10,13-dimethylhexadecahydro-8H-cyclopenta[a] phenanthrene-4,6,8,15-tetrol

  • Molecular FormulaC33H56O10
  • Average mass612.792 Da
  • Monoisotopic mass612.387329 Da
  • ChemSpider ID29213519

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 17 defined stereocentres

More details:

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

(3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-3-{[(2S,3R,4S,5R)-4-Hydroxy-3,5-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-17-[(2R,3E)-6-hydroxy-5-methyl-3-hexen-2-yl]-10,13-dimethylhexadecahydro-8H-cyclopenta[a] phenanthren-4,6,8,15-tetrol [German] [ACD/IUPAC Name]
(3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-3-{[(2S,3R,4S,5R)-4-Hydroxy-3,5-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-17-[(2R,3E)-6-hydroxy-5-methyl-3-hexen-2-yl]-10,13-dimethylhexadecahydro-8H-cyclopenta[a] phenanthrene-4,6,8,15-tetrol [ACD/IUPAC Name]
(3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-3-{[(2S,3R,4S,5R)-4-Hydroxy-3,5-diméthoxytétrahydro-2H-pyran-2-yl]oxy}-17-[(2R,3E)-6-hydroxy-5-méthyl-3-hexén-2-yl]-10,13-diméthylhexadécahydro-8H-cyclopenta[a] phénanthrène-4,6,8,15-tétrol [French] [ACD/IUPAC Name]
tumidoside A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 408.7±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 160.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.94
ACD/KOC (pH 5.5): 241.14
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.94
ACD/KOC (pH 7.4): 241.14
Polar Surface Area: 158 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 484.0±5.0 cm3

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