ChemSpider 2D Image | PNP Gal-beta1,3-GalNAc | C20H28N2O13

PNP Gal-β1,3-GalNAc

  • Molecular FormulaC20H28N2O13
  • Average mass504.442 Da
  • Monoisotopic mass504.159149 Da
  • ChemSpider ID9343136
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

2-Acétamido-2-désoxy-3-O-β-D-galactopyranosyl-α-D-galactopyranoside de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-α-D-galactopyranoside
4-Nitrophenyl 2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranoside
4-Nitrophenyl 2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-α-D-galactopyranoside [ACD/IUPAC Name]
4-Nitrophenyl-2-acetamido-2-desoxy-3-O-β-D-galactopyranosyl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
59837-14-8 [RN]
MFCD00064051 [MDL number]
p-Nitrophenyl galacto-N-bioside
PNP Gal-β1,3-GalNAc
α-D-Galactopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N3016_SIGMA [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 879.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 485.4±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 233 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 90.0±5.0 dyne/cm
Molar Volume: 311.4±5.0 cm3

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