ChemSpider 2D Image | Neoconvalloside | C34H50O16

Neoconvalloside

  • Molecular FormulaC34H50O16
  • Average mass714.751 Da
  • Monoisotopic mass714.309875 Da
  • ChemSpider ID26559504

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-13-methyl-17-(5-oxo-2,5-dihydro-3-furanyl)-3-{[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran -2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-10H-cyclopenta[a]phenanthren-10-carbaldehyd [German] [ACD/IUPAC Name]
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-13-methyl-17-(5-oxo-2,5-dihydro-3-furanyl)-3-{[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran -2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde [ACD/IUPAC Name]
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-13-méthyl-17-(5-oxo-2,5-dihydro-3-furanyl)-3-{[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran -2-yl]oxy}tétrahydro-2H-pyran-2-yl]oxy}hexadécahydro-10H-cyclopenta[a]phénanthrène-10-carbaldéhyde [French] [ACD/IUPAC Name]
83841-55-8 [RN]
Neoconvalloside [Wiki]
Strophanthidin 3-O-[β-D-glucopyranosyl-(1→2)-α-L-rhamnopyranoside]
PUBCHEM_57459383
ネオコンバロシド [Japanese]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 945.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.1±6.0 kJ/mol
Flash Point: 296.0±27.8 °C
Index of Refraction: 1.661
Molar Refractivity: 167.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.67
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 262 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 89.4±5.0 dyne/cm
Molar Volume: 453.7±5.0 cm3

Click to predict properties on the Chemicalize site


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