Found 25 results

Search term: MF = 'C_{36}H_{56}O_{5}'
ChemSpider 2D Image | (2S)-1-[(2S,6S)-6-{(2R)-3-[(2R,4S,6S)-6-Allyl-4-(benzyloxy)tetrahydro-2H-pyran-2-yl]-2-methoxypropyl}tetrahydro-2H-pyran-2-yl]-11-dodecyn-2-ol | C36H56O5

(2S)-1-[(2S,6S)-6-{(2R)-3-[(2R,4S,6S)-6-Allyl-4-(benzyloxy)tetrahydro-2H-pyran-2-yl]-2-methoxypropyl}tetrahydro-2H-pyran-2-yl]-11-dodecyn-2-ol

  • Molecular FormulaC36H56O5
  • Average mass568.827 Da
  • Monoisotopic mass568.412781 Da
  • ChemSpider ID9752533

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S)-1-[(2S,6S)-6-{(2R)-3-[(2R,4S,6S)-6-Allyl-4-(benzyloxy)tetrahydro-2H-pyran-2-yl]-2-methoxypropyl}tetrahydro-2H-pyran-2-yl]-11-dodecin-2-ol [German] [ACD/IUPAC Name]
(2S)-1-[(2S,6S)-6-{(2R)-3-[(2R,4S,6S)-6-Allyl-4-(benzyloxy)tetrahydro-2H-pyran-2-yl]-2-methoxypropyl}tetrahydro-2H-pyran-2-yl]-11-dodecyn-2-ol [ACD/IUPAC Name]
(2S)-1-[(2S,6S)-6-{(2R)-3-[(2R,4S,6S)-6-Allyl-4-(benzyloxy)tétrahydro-2H-pyran-2-yl]-2-méthoxypropyl}tétrahydro-2H-pyran-2-yl]-11-dodécyn-2-ol [French] [ACD/IUPAC Name]
2H-Pyran-2-ethanol, α-9-decyn-1-yltetrahydro-6-[(2R)-2-methoxy-3-[(2R,4S,6S)-tetrahydro-4-(phenylmethoxy)-6-(2-propen-1-yl)-2H-pyran-2-yl]propyl]-, (αS,2S,6S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 647.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.2±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 167.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 191664.33
ACD/KOC (pH 5.5): 210290.06
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 191664.33
ACD/KOC (pH 7.4): 210290.06
Polar Surface Area: 57 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 545.8±5.0 cm3

Click to predict properties on the Chemicalize site


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