ChemSpider 2D Image | 4-Nitrophenyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl phosphate | C18H26NO16P

4-Nitrophenyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl phosphate

  • Molecular FormulaC18H26NO16P
  • Average mass543.370 Da
  • Monoisotopic mass543.098938 Da
  • ChemSpider ID129625

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

4-Nitrophenyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl phosphate [ACD/IUPAC Name]
4-Nitrophenyl-[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methyl-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylphosphat [German] [ACD/IUPAC Name]
Phosphate de 4-nitrophényle et de [(2R,3S,4S,5S,6S)-3,4,5,6-tétrahydroxytétrahydro-2H-pyran-2-yl]méthyle et de (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle (non-preferr ed name) [French] [ACD/IUPAC Name]
101455-34-9 [RN]
4-NITROPHENYL-(A)-MANNOPYRANOSIDE 6-(A-GLUCOPYRANOSYL PHOSPHONATE)
4-Nitrophenyl-(α)-mannopyranoside 6-(α-glucopyranosyl phosphate)
4-Npmgp

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

Density: 1.8±0.1 g/cm3
Boiling Point: 790.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 431.6±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 281 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 108.8±5.0 dyne/cm
Molar Volume: 300.7±5.0 cm3

Click to predict properties on the Chemicalize site


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