ChemSpider 2D Image | 1-(4-{[2,6-Dideoxy-4-O-methyl-beta-D-glycero-hexopyranosyl-(1->3)-6-deoxy-2-O-methyl-4-O-propionyl-beta-L-glycero-hexopyranosyl-(1->3)-6-deoxy-2-O-methyl-alpha-D-glycero-hexopyranosyl-(1->3)-6-deoxy-2 ,4-di-O-methyl-alpha-D-glycero-hexopyranosyl]oxy}phenyl)-10-methoxy-9-methyl-2,4-dodecanediyl bis(2-methylpentanoate) | C64H108O22

1-(4-{[2,6-Dideoxy-4-O-methyl-β-D-glycero-hexopyranosyl-(1->3)-6-deoxy-2-O-methyl-4-O-propionyl-β-L-glycero-hexopyranosyl-(1->3)-6-deoxy-2-O-methyl-α-D-glycero-hexopyranosyl-(1->3)-6-deoxy-2 ,4-di-O-methyl-α-D-glycero-hexopyranosyl]oxy}phenyl)-10-methoxy-9-methyl-2,4-dodecanediyl bis(2-methylpentanoate)

  • Molecular FormulaC64H108O22
  • Average mass1229.529 Da
  • Monoisotopic mass1228.733276 Da
  • ChemSpider ID78445558

  • defined stereocentres - 8 of 25 defined stereocentres

More details:

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

1-(4-{[2,6-Dideoxy-4-O-methyl-β-D-glycero-hexopyranosyl-(1->3)-6-deoxy-2-O-methyl-4-O-propionyl-β-L-glycero-hexopyranosyl-(1->3)-6-deoxy-2-O-methyl-α-D-glycero-hexopyranosyl-(1->3)-6-deoxy-2 ,4-di-O-methyl-α-D-glycero-hexopyranosyl]oxy}phenyl)-10-methoxy-9-methyl-2,4-dodecanediyl bis(2-methylpentanoate) [ACD/IUPAC Name]
1-(4-{[2,6-Didesoxy-4-O-methyl-β-D-glycero-hexopyranosyl-(1->3)-6-desoxy-2-O-methyl-4-O-propionyl-β-L-glycero-hexopyranosyl-(1->;3)-6-desoxy-2-O-methyl-α-D-glycero-hexopyranosyl-(1->3)-6-deso xy-2,4-di-O-methyl-α-D-glycero-hexopyranosyl]oxy}phenyl)-10-methoxy-9-methyl-2,4-dodecandiyl-bis(2-methylpentanoat) [German] [ACD/IUPAC Name]
Bis(2-méthylpentanoate) de 1-(4-{[2,6-didésoxy-4-O-méthyl-β-D-glycéro-hexopyranosyl-(1->3)-6-désoxy-2-O-méthyl-4-O-propionyl-β-L-glycéro-hexopyranosyl-(1->3)-6-désoxy-2-O-méthyl-α-D-glycéro- hexopyranosyl-(1->3)-6-désoxy-2,4-di-O-méthyl-α-D-glycéro-hexopyranosyl]oxy}phényl)-10-méthoxy-9-méthyl-2,4-dodécanediyle [French] [ACD/IUPAC Name]
Pentanoic acid, 2-methyl-, 1-[[4-[[O-2,6-dideoxy-4-O-methyl-β-D-glycero-hexopyranosyl-(1->3)-O-6-deoxy-2-O-methyl-4-O-(1-oxopropyl)-β-L-glycero-hexopyranosyl-(1->3)-O-6-deoxy-2-O-methyl-α-D- glycero-hexopyranosyl-(1->3)-6-deoxy-2,4-di-O-methyl-α-D-glycero-hexopyranosyl]oxy]phenyl]methyl]-3-(6-methoxy-5-methyloctyl)-1,3-propanediyl ester [ACD/Index Name]
PGL K5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1031.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.9±3.0 kJ/mol
Flash Point: 259.7±27.8 °C
Index of Refraction: 1.522
Molar Refractivity: 319.6±0.4 cm3
#H bond acceptors: 22
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 12.68
ACD/LogD (pH 5.5): 10.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 249 Å2
Polarizability: 126.7±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 1048.3±5.0 cm3

Click to predict properties on the Chemicalize site


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