ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl methylenebis[hydrogen (phos phonate)] | C20H27N7O13P2Se

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl methylenebis[hydrogen (phos phonate)]

  • Molecular FormulaC20H27N7O13P2Se
  • Average mass714.375 Da
  • Monoisotopic mass715.030701 Da
  • ChemSpider ID139473

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl methylenebis[hydrogen (phos phonate)] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-methylenbis[hydrogen(phosph onat)] [German] [ACD/IUPAC Name]
Méthylènebis[hydrogéno(phosphonate)] de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-sélénazol-2-yl)-3,4-dihydroxytétrahyd ro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
151868-71-2 [RN]
4-Carboxamido-2-β-D-ribofuranosylselenazolyl(5'+5') adenosine methylenediphosphonic acid
Adenosine, 5'-(hydrogen(phosphonomethyl)phosphonate), P'-5'-ester with 2-β-D-ribofuranosyl-4-selenazolecarboxamide
SAD
β-Methylene sad
β-Methylene SAD
β-Methylene selenazole-4-carboxamide adenine dinucleotide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS131102 [DBID]
AIDS-131102 [DBID]
NSC621959 [DBID]

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

Density:
Boiling Point: 1154.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 178.5±3.0 kJ/mol
Flash Point: 651.8±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.94
ACD/LogD (pH 5.5): -9.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 338 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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