Found 18 results

Search term: MF = 'C_{39}H_{60}O_{8}'
ChemSpider 2D Image | (2S,3S,4R)-1-(Benzyloxy)-4-[(2R,3R,4R,6S,8S,9S)-8-{(2S,3S,4S)-3-hydroxy-5-[(4-methoxybenzyl)oxy]-4-methyl-2-pentanyl}-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-2-methyl-3-pentanol | C39H60O8

(2S,3S,4R)-1-(Benzyloxy)-4-[(2R,3R,4R,6S,8S,9S)-8-{(2S,3S,4S)-3-hydroxy-5-[(4-methoxybenzyl)oxy]-4-methyl-2-pentanyl}-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-2-methyl-3-pentanol

  • Molecular FormulaC39H60O8
  • Average mass656.889 Da
  • Monoisotopic mass656.428833 Da
  • ChemSpider ID75565994

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2S,3S,4R)-1-(Benzyloxy)-4-[(2R,3R,4R,6S,8S,9S)-8-{(2S,3S,4S)-3-hydroxy-5-[(4-methoxybenzyl)oxy]-4-methyl-2-pentanyl}-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-2-methyl-3-pentanol [German] [ACD/IUPAC Name]
(2S,3S,4R)-1-(Benzyloxy)-4-[(2R,3R,4R,6S,8S,9S)-8-{(2S,3S,4S)-3-hydroxy-5-[(4-methoxybenzyl)oxy]-4-methyl-2-pentanyl}-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-2-methyl-3-pentanol [ACD/IUPAC Name]
(2S,3S,4R)-1-(Benzyloxy)-4-[(2R,3R,4R,6S,8S,9S)-8-{(2S,3S,4S)-3-hydroxy-5-[(4-méthoxybenzyl)oxy]-4-méthyl-2-pentanyl}-4-méthoxy-3,9-diméthyl-1,7-dioxaspiro[5.5]undéc-2-yl]-2-méthyl-3-pentanol [French] [ACD/IUPAC Name]
1,7-Dioxaspiro[5.5]undecane-2,8-diethanol, 4-methoxy-α8-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-methylethyl]-β2,β8,3,9-tetramethyl-α2-[(1S)-1-methyl-2-(phenylmethoxy)ethyl]-, (α 2S,α8S,β2R,β8S,2R,3R,4R,6S,8S,9S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 740.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.6±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 185.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49896.71
ACD/KOC (pH 5.5): 80253.11
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49896.71
ACD/KOC (pH 7.4): 80253.11
Polar Surface Area: 96 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 586.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement