ChemSpider 2D Image | (5R)-5-{[3,6-Dideoxy-4-O-(4-{[(R)-hydroxy(4-hydroxyphenyl)methyl]amino}-4-oxobutanoyl)-alpha-L-arabino-hexopyranosyl]oxy}hexanoic acid | C23H33NO10

(5R)-5-{[3,6-Dideoxy-4-O-(4-{[(R)-hydroxy(4-hydroxyphenyl)methyl]amino}-4-oxobutanoyl)-α-L-arabino-hexopyranosyl]oxy}hexanoic acid

  • Molecular FormulaC23H33NO10
  • Average mass483.509 Da
  • Monoisotopic mass483.210449 Da
  • ChemSpider ID58828729
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(5R)-5-{[3,6-Dideoxy-4-O-(4-{[(R)-hydroxy(4-hydroxyphenyl)methyl]amino}-4-oxobutanoyl)-α-L-arabino-hexopyranosyl]oxy}hexanoic acid [ACD/IUPAC Name]
(5R)-5-{[3,6-Didesoxy-4-O-(4-{[(R)-hydroxy(4-hydroxyphenyl)methyl]amino}-4-oxobutanoyl)-α-L-arabino-hexopyranosyl]oxy}hexansäure [German] [ACD/IUPAC Name]
Acide (5R)-5-{[3,6-didésoxy-4-O-(4-{[(R)-hydroxy(4-hydroxyphényl)méthyl]amino}-4-oxobutanoyl)-α-L-arabino-hexopyranosyl]oxy}hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 5-[[3,6-dideoxy-4-O-[4-[[(R)-hydroxy(4-hydroxyphenyl)methyl]amino]-1,4-dioxobutyl]-α-L-arabino-hexopyranosyl]oxy]-, (5R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 773.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 421.5±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.67
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 357.8±5.0 cm3

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