ChemSpider 2D Image | 2-Amino-5-({[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-7-(alpha-D-ribofuranosyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C17H23N5O7

2-Amino-5-({[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-7-(α-D-ribofuranosyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC17H23N5O7
  • Average mass409.394 Da
  • Monoisotopic mass409.159760 Da
  • ChemSpider ID35032074
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

2-Amino-5-({[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-7-(α-D-ribofuranosyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-Amino-5-({[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-7-(α-D-ribofuranosyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
2-Amino-5-({[(1S,4S,5R)-4,5-dihydroxy-2-cyclopentén-1-yl]amino}méthyl)-7-(α-D-ribofuranosyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-5-[[[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino]methyl]-1,7-dihydro-7-α-D-ribofuranosyl- [ACD/Index Name]
(7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine)
(imidazol-4-yl)acetaldehyde
2-amino-7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1H-pyrrolo[2,3-d]pyrimidin-4-one
Queuosine [Wiki]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 816.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 447.6±37.1 °C
Index of Refraction: 1.865
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -4.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 100.2±7.0 dyne/cm
Molar Volume: 203.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement