ChemSpider 2D Image | hbas#10 | C22H32O8

hbas#10

  • Molecular FormulaC22H32O8
  • Average mass424.485 Da
  • Monoisotopic mass424.209717 Da
  • ChemSpider ID31150823

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8R)-8-{[3,6-Dideoxy-4-O-(4-hydroxybenzoyl)-α-L-arabino-hexopyranosyl]oxy}nonanoic acid [ACD/IUPAC Name]
(8R)-8-{[3,6-Didesoxy-4-O-(4-hydroxybenzoyl)-α-L-arabino-hexopyranosyl]oxy}nonansäure [German] [ACD/IUPAC Name]
1355683-67-8 [RN]
Acide (8R)-8-{[3,6-didésoxy-4-O-(4-hydroxybenzoyl)-α-L-arabino-hexopyranosyl]oxy}nonanoïque [French] [ACD/IUPAC Name]
hbas#10
Nonanoic acid, 8-[[3,6-dideoxy-4-O-(4-hydroxybenzoyl)-α-L-arabino-hexopyranosyl]oxy]-, (8R)- [ACD/Index Name]
8R-(3,6-dideoxy-(4-O-hydroxybenzoyl)α-L-arabino-hexopyranosyloxy)-nonanoic acid
8R-(3'R-hydroxy-5'R-O-(4-hydroxybenzoyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 210.5±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 39.63
ACD/KOC (pH 5.5): 286.77
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.83
Polar Surface Area: 123 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 339.6±5.0 cm3

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