ChemSpider 2D Image | Barium bis[(4aR,6R,7R,7aR)-6-[6-(butyrylamino)-9H-purin-9-yl]-7-(butyryloxy)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide] | C36H46BaN10O16P2

Barium bis[(4aR,6R,7R,7aR)-6-[6-(butyrylamino)-9H-purin-9-yl]-7-(butyryloxy)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide]

  • Molecular FormulaC36H46BaN10O16P2
  • Average mass1074.082 Da
  • Monoisotopic mass1074.162109 Da
  • ChemSpider ID50645513

  • Charge - Charge

More details:

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

18837-96-2 [RN]
Barium bis[(4aR,6R,7R,7aR)-6-[6-(butyrylamino)-9H-purin-9-yl]-7-(butyryloxy)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide] [ACD/IUPAC Name]
Bariumbis[(4aR,6R,7R,7aR)-6-[6-(butyrylamino)-9H-purin-9-yl]-7-(butyryloxy)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olat-2-oxid] [German] [ACD/IUPAC Name]
Bis[(4aR,6R,7R,7aR) 2-oxyde de 6-[6-(butyrylamino)-9H-purin-9-yl]-7-(butyryloxy)tétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate] et de baryum [French] [ACD/IUPAC Name]
Butanoic acid, (4aR,6R,7R,7aR)-tetrahydro-2-hydroxy-2-oxido-6-[6-[(1-oxobutyl)amino]-9H-purin-9-yl]-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-7-yl ester, barium salt (2:1) [ACD/Index Name]
Barium Dibutyacyladenosine Cyclphosphate

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 26
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 326 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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