ChemSpider 2D Image | Sialyllacto-N-neotetraose c | C37H62N2O29

Sialyllacto-N-neotetraose c

  • Molecular FormulaC37H62N2O29
  • Average mass998.884 Da
  • Monoisotopic mass998.343811 Da
  • ChemSpider ID58145732

  • defined stereocentres - 24 of 25 defined stereocentres

More details:

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

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->6)-(5ξ)-α-L-arabino-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-bet a-D-galactopyranosyl-(1->4)-D-glucose [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->6)-(5ξ)-α-L-arabino-hexopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-b êta-D-galactopyranosyl-(1->4)-D-glucose [French] [ACD/IUPAC Name]
(6R)-5-Acηmido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->6)-(5ξ)-α-L-arabino-hexopyranosyl-(1->4)-2-acηmido-2-desoxy-β-D-glucopyranosyl-(1->3)-b η-D-galactopyranosyl-(1->4)-D-glucose [German] [ACD/IUPAC Name]
D-Glucose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->6)-O(5ξ)-α-L-arabino-hexopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β- D-galactopyranosyl-(1->4)- [ACD/Index Name]
Sialyllacto-N-neotetraose c
(2R,4S,5R,6R)-2-{[(3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
64003-55-0 [RN]
LSTc
LS-tetrasaccharide c
O-(N-Acetyl-α-neuraminosyl)-(2->6)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-D-Glucose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1446.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 248.6±6.0 kJ/mol
Flash Point: 828.8±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 212.7±0.4 cm3
#H bond acceptors: 31
#H bond donors: 19
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -4.07
ACD/LogD (pH 5.5): -8.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 510 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 115.3±5.0 dyne/cm
Molar Volume: 572.1±5.0 cm3

Click to predict properties on the Chemicalize site


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