Found 20 results

Search term: C25H42O9 (Found by molecular formula)
ChemSpider 2D Image | Methyl [(2S,6R)-6-{(2S,4S)-2,4-dihydroxy-5-[(2R,3S,6R,8R,9S)-8-(hydroxymethyl)-9-methoxy-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-2-yl]pentyl}tetrahydro-2H-pyran-2-yl]acetate | C25H42O9

Methyl [(2S,6R)-6-{(2S,4S)-2,4-dihydroxy-5-[(2R,3S,6R,8R,9S)-8-(hydroxymethyl)-9-methoxy-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-2-yl]pentyl}tetrahydro-2H-pyran-2-yl]acetate

  • Molecular FormulaC25H42O9
  • Average mass486.596 Da
  • Monoisotopic mass486.282898 Da
  • ChemSpider ID74048170

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2S,6R)-6-{(2S,4S)-2,4-Dihydroxy-5-[(2R,3S,6R,8R,9S)-8-(hydroxyméthyl)-9-méthoxy-3-méthyl-1,7-dioxaspiro[5.5]undéc-4-én-2-yl]pentyl}tétrahydro-2H-pyran-2-yl]acétate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-2-acetic acid, 6-[(2S,4S)-2,4-dihydroxy-5-[(2R,3S,6R,8R,9S)-8-(hydroxymethyl)-9-methoxy-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-2-yl]pentyl]tetrahydro-, methyl ester, (2S,6R)- [ACD/Index Name]
Methyl [(2S,6R)-6-{(2S,4S)-2,4-dihydroxy-5-[(2R,3S,6R,8R,9S)-8-(hydroxymethyl)-9-methoxy-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-2-yl]pentyl}tetrahydro-2H-pyran-2-yl]acetate [ACD/IUPAC Name]
Methyl-[(2S,6R)-6-{(2S,4S)-2,4-dihydroxy-5-[(2R,3S,6R,8R,9S)-8-(hydroxymethyl)-9-methoxy-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-2-yl]pentyl}tetrahydro-2H-pyran-2-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 207.9±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.42
ACD/KOC (pH 5.5): 198.96
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.42
ACD/KOC (pH 7.4): 198.96
Polar Surface Area: 124 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 399.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement