ChemSpider 2D Image | (1S)-1,4-Anhydro-2,3,5-tri-O-benzyl-1-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol | C31H32N6O4

(1S)-1,4-Anhydro-2,3,5-tri-O-benzyl-1-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol

  • Molecular FormulaC31H32N6O4
  • Average mass552.624 Da
  • Monoisotopic mass552.248474 Da
  • ChemSpider ID114730

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-2,3,5-tri-O-benzyl-1-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-2,3,5-tri-O-benzyl-1-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-2,3,5-tri-O-benzyl-1-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1,4-anhydro-1-C-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2,3,5-tris-O-(phenylmethyl)-, (1S)- [ACD/Index Name]
122018-90-0 [RN]
5,7-Diamino-3-(2,3,5-tri-O-benzyl-β-ribofuranosyl)pyrazolo(4,3-d)pyrimidine
5-Aminoformycin A
D-Ribitol, 1,4-anhydro-1-C-(5,7-diamino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-2,3,5-tris-O-(phenylmethyl)-, (1S)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 731.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 396.1±35.7 °C
Index of Refraction: 1.694
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 94.49
ACD/KOC (pH 5.5): 407.92
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1285.13
ACD/KOC (pH 7.4): 5548.16
Polar Surface Area: 143 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 403.6±5.0 cm3

Click to predict properties on the Chemicalize site


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