Found 54 results

Search term: MF = 'C_{35}H_{54}O_{7}'
ChemSpider 2D Image | {(2R,4R,6R)-4-(Benzyloxy)-6-[(2R)-3-{(2S,6S)-6-[(2R)-2-hydroxy-11-dodecyn-1-yl]tetrahydro-2H-pyran-2-yl}-2-methoxypropyl]tetrahydro-2H-pyran-2-yl}acetic acid | C35H54O7

{(2R,4R,6R)-4-(Benzyloxy)-6-[(2R)-3-{(2S,6S)-6-[(2R)-2-hydroxy-11-dodecyn-1-yl]tetrahydro-2H-pyran-2-yl}-2-methoxypropyl]tetrahydro-2H-pyran-2-yl}acetic acid

  • Molecular FormulaC35H54O7
  • Average mass586.799 Da
  • Monoisotopic mass586.386963 Da
  • ChemSpider ID9752652

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

{(2R,4R,6R)-4-(Benzyloxy)-6-[(2R)-3-{(2S,6S)-6-[(2R)-2-hydroxy-11-dodecin-1-yl]tetrahydro-2H-pyran-2-yl}-2-methoxypropyl]tetrahydro-2H-pyran-2-yl}essigsäure [German] [ACD/IUPAC Name]
{(2R,4R,6R)-4-(Benzyloxy)-6-[(2R)-3-{(2S,6S)-6-[(2R)-2-hydroxy-11-dodecyn-1-yl]tetrahydro-2H-pyran-2-yl}-2-methoxypropyl]tetrahydro-2H-pyran-2-yl}acetic acid [ACD/IUPAC Name]
2H-Pyran-2-acetic acid, tetrahydro-6-[(2R)-2-methoxy-3-[(2S,6S)-tetrahydro-6-[(2R)-2-hydroxy-11-dodecyn-1-yl]-2H-pyran-2-yl]propyl]-4-(phenylmethoxy)-, (2R,4R,6R)- [ACD/Index Name]
Acide {(2R,4R,6R)-4-(benzyloxy)-6-[(2R)-3-{(2S,6S)-6-[(2R)-2-hydroxy-11-dodécyn-1-yl]tétrahydro-2H-pyran-2-yl}-2-méthoxypropyl]tétrahydro-2H-pyran-2-yl}acétique [French] [ACD/IUPAC 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: 701.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 211.3±23.6 °C
Index of Refraction: 1.536
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1013.10
ACD/KOC (pH 5.5): 2323.18
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 16.22
ACD/KOC (pH 7.4): 37.20
Polar Surface Area: 94 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 528.4±5.0 cm3

Click to predict properties on the Chemicalize site


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