ChemSpider 2D Image | LACTOSE SIALIC ACID | C23H39NO19

LACTOSE SIALIC ACID

  • Molecular FormulaC23H39NO19
  • Average mass633.551 Da
  • Monoisotopic mass633.211609 Da
  • ChemSpider ID26329962

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(6S)-5-Acetamido-3,5-dideoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-α-D-threo-hex-2-ulopyranonosyl-(2->3)-α-L-allopyranosyl-(1->4)-α-L-idopyranose [ACD/IUPAC Name]
(6S)-5-Acetamido-3,5-didesoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-α-D-threo-hex-2-ulopyranonosyl-(2->3)-α-L-allopyranosyl-(1->4)-α-L-idopyranose [German] [ACD/IUPAC Name]
(6S)-5-Acétamido-3,5-didésoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-α-D-thréo-hex-2-ulopyranonosyl-(2->3)-α-L-allopyranosyl-(1->4)-α-L-idopyranose [French] [ACD/IUPAC Name]
LACTOSE SIALIC ACID
α-L-Idopyranose, O-5-(acetylamino)-3,5-dideoxy-α-D-altro-2-nonulopyranonosyl-(2->3)-O-α-L-allopyranosyl-(1->4)- [ACD/Index Name]
(2S,4R,5S,6S)-2-{[(2S,3S,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxy
(2S,4R,5S,6S)-2-{[(2S,3S,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
propyl]oxane-2-carboxylic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1134.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 189.0±6.0 kJ/mol
Flash Point: 640.2±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -6.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 115.9±5.0 dyne/cm
Molar Volume: 357.6±5.0 cm3

Click to predict properties on the Chemicalize site


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