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Search term: RJTOFDPWCJDYFZ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Lacto-N-triose II | C20H35NO16

Lacto-N-triose II

  • Molecular FormulaC20H35NO16
  • Average mass545.489 Da
  • Monoisotopic mass545.195557 Da
  • ChemSpider ID30776579
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->;4)-D-glucose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [French] [ACD/IUPAC Name]
75645-27-1 [RN]
D-Glucose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->;4)- [ACD/Index Name]
Lacto-N-triose II
Agalacto-N-neotetraose
Lacto-N-triaose
N-[(2S,3R,4R,5S,6R)-2-{[(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}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-D-Glucose
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 1022.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.2±6.0 kJ/mol
Flash Point: 572.1±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 327.0±5.0 cm3

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