ChemSpider 2D Image | (4aR,6R,7R,7aS)-6-[6-(Benzoylamino)-9H-purin-9-yl]-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide | C17H15N5O7P

(4aR,6R,7R,7aS)-6-[6-(Benzoylamino)-9H-purin-9-yl]-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide

  • Molecular FormulaC17H15N5O7P
  • Average mass432.305 Da
  • Monoisotopic mass432.071472 Da
  • ChemSpider ID21169209

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,6R,7R,7aS) 2-Oxyde de 6-[6-(benzoylamino)-9H-purin-9-yl]-7-hydroxytétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate [French] [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-6-[6-(Benzoylamino)-9H-purin-9-yl]-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olat-2-oxid [German] [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-6-[6-(Benzoylamino)-9H-purin-9-yl]-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide [ACD/IUPAC Name]
Benzamide, N-[9-[(4aR,6R,7R,7aS)-tetrahydro-2,7-dihydroxy-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]-9H-purin-6-yl]-, ion(1-) [ACD/Index Name]
N6-Benzoyladenosine-3',5'-cyclic monophosphate

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

nchembio.79-comp18 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 3
#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: 171 Å2
Polarizability:
Surface Tension:
Molar Volume:

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