ChemSpider 2D Image | (1S)-1-(4-Amino-3-cyano-1H-pyrazol-5-yl)-1,4-anhydro-2,3,5-tri-O-benzyl-D-ribitol | C30H30N4O4

(1S)-1-(4-Amino-3-cyano-1H-pyrazol-5-yl)-1,4-anhydro-2,3,5-tri-O-benzyl-D-ribitol

  • Molecular FormulaC30H30N4O4
  • Average mass510.584 Da
  • Monoisotopic mass510.226715 Da
  • ChemSpider ID122860
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1S)-1-(4-Amino-3-cyan-1H-pyrazol-5-yl)-1,4-anhydro-2,3,5-tri-O-benzyl-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1-(4-Amino-3-cyano-1H-pyrazol-5-yl)-1,4-anhydro-2,3,5-tri-O-benzyl-D-ribitol [ACD/IUPAC Name]
(1S)-1-(4-Amino-3-cyano-1H-pyrazol-5-yl)-1,4-anhydro-2,3,5-tri-O-benzyl-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-C-(4-amino-3-cyano-1H-pyrazol-5-yl)-1,4-anhydro-2,3,5-tris-O-(phenylmethyl)-, (1S)- [ACD/Index Name]
4-AMINO-3-(2,3,5-TRI-O-BENZYL-SS-RIBOFURANOSYL)-5-PYRAZOLE CARBONITR ILE
4-Amino-3-(2,3,5-tri-O-benzyl-β-ribofuranosyl)-5-pyrazole carbonitrile
88287-77-8 [RN]
Atrp carbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 142.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1039.28
ACD/KOC (pH 5.5): 5023.14
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1039.26
ACD/KOC (pH 7.4): 5023.04
Polar Surface Area: 115 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 391.5±5.0 cm3

Click to predict properties on the Chemicalize site






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