ChemSpider 2D Image | 5-C-[(Benzoyloxy)methyl]-3-O-benzyl-6-deoxy-1,2-O-isopropylidene-6-nitro-alpha-L-xylo-hexofuranose | C24H27NO9

5-C-[(Benzoyloxy)methyl]-3-O-benzyl-6-deoxy-1,2-O-isopropylidene-6-nitro-α-L-xylo-hexofuranose

  • Molecular FormulaC24H27NO9
  • Average mass473.473 Da
  • Monoisotopic mass473.168579 Da
  • ChemSpider ID24741468

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-C-[(Benzoyloxy)methyl]-3-O-benzyl-6-deoxy-1,2-O-isopropylidene-6-nitro-α-L-xylo-hexofuranose [ACD/IUPAC Name]
5-C-[(Benzoyloxy)methyl]-3-O-benzyl-6-desoxy-1,2-O-isopropyliden-6-nitro-α-L-xylo-hexofuranose [German] [ACD/IUPAC Name]
5-C-[(Benzoyloxy)méthyl]-3-O-benzyl-6-désoxy-1,2-O-isopropylidène-6-nitro-α-L-xylo-hexofuranose [French] [ACD/IUPAC Name]
α-L-xylo-Hexofuranose, 5-C-[(benzoyloxy)methyl]-6-deoxy-1,2-O-(1-methylethylidene)-6-nitro-3-O-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 331.7±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1448.56
ACD/KOC (pH 5.5): 6351.53
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 790.86
ACD/KOC (pH 7.4): 3467.68
Polar Surface Area: 129 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 347.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement