ChemSpider 2D Image | β-D-Ribofuranosylcreatine | C9H17N3O6

β-D-Ribofuranosylcreatine

  • Molecular FormulaC9H17N3O6
  • Average mass263.248 Da
  • Monoisotopic mass263.111725 Da
  • ChemSpider ID43055099

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{N'-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-N-methylcarbamimidamido}acetic acid (non-preferred name) [ACD/IUPAC Name]
{N'-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-N-methylcarbamimidamido}essigsäure (non-preferred name) [German] [ACD/IUPAC Name]
1616693-92-5 [RN]
2-{N'-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-methylcarbamimidamido}acetic acid
Acide {N'-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-N-méthylcarbamimidamido}acétique (non-preferred name) [French] [ACD/IUPAC Name]
β-D-Ribofuranosylcreatine
β-D-Ribofuranosylamine, N-[[(carboxymethyl)methylamino]iminomethyl]- [ACD/Index Name]
[1616693-92-5] [RN]
{N'-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-methylcarbamimidamido}acetic acid
1063714-11-3 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.7±0.1 g/cm3
Boiling Point: 525.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 271.4±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 55.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 153.4±7.0 cm3

Click to predict properties on the Chemicalize site


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