ChemSpider 2D Image | (3E)-5,8-anhydro-1-O-(3-chlorophenyl)-3,4,6-trideoxy-6-[(3Z)-8-oxo-8-(propan-2-yloxy)oct-3-en-1-yl]-L-altro-oct-3-enitol | C25H35ClO6

(3E)-5,8-anhydro-1-O-(3-chlorophenyl)-3,4,6-trideoxy-6-[(3Z)-8-oxo-8-(propan-2-yloxy)oct-3-en-1-yl]-L-altro-oct-3-enitol

  • Molecular FormulaC25H35ClO6
  • Average mass466.995 Da
  • Monoisotopic mass466.212219 Da
  • ChemSpider ID23249495

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3E)-5,8-anhydro-1-O-(3-chlorophenyl)-3,4,6-trideoxy-6-[(3Z)-8-oxo-8-(propan-2-yloxy)oct-3-en-1-yl]-L-altro-oct-3-enitol
(5Z)-8-{(2R,3S,4R)-2-[(1E,3R)-4-(3-Chlorophénoxy)-3-hydroxy-1-butén-1-yl]-4-hydroxytétrahydro-3-furanyl}-5-octénoate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl (5Z)-8-{(2R,3S,4R)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-4-hydroxytetrahydro-3-furanyl}-5-octenoate [ACD/IUPAC Name]
Isopropyl-(5Z)-8-{(2R,3S,4R)-2-[(1E,3R)-4-(3-chlorphenoxy)-3-hydroxy-1-buten-1-yl]-4-hydroxytetrahydro-3-furanyl}-5-octenoat [German] [ACD/IUPAC Name]
L-altro-Oct-3-enitol, 5,8-anhydro-1-O-(3-chlorophenyl)-3,4,6-trideoxy-6-[(3Z)-8-(1-methylethoxy)-8-oxo-3-octen-1-yl]-, (3E)- [ACD/Index Name]
(Z)-8-{(2R,3S,4R)-2-[(E)-(R)-4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-4-hydroxy-tetrahydro-furan-3-yl}-oct-5-enoic acid isopropyl ester
AL-12182

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 313.7±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1257.21
ACD/KOC (pH 5.5): 5756.45
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1257.21
ACD/KOC (pH 7.4): 5756.44
Polar Surface Area: 85 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 391.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement