(3aR,4S,6R,6aS)-6-{7-chloro-5-[(1,1,2,2,3,3,3-²H₇)propylsulfanyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-ol | C15H20ClN5O3S | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])SC1=NC(Cl)=C2N=NN([C@@H]3C[C@H](O)[C@H]4OC(C)(C)O[C@@H]34)C2=N1 | C381277, CSC159242757, H714815 | Chemspace

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Home CSCS00159242757

Structure Info

Chemspace ID: CSCS00159242757 (Synthesis)

IUPAC Name: (3aR,4S,6R,6aS)-6-{7-chloro-5-[(1,1,2,2,3,3,3-²H₇)propylsulfanyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-ol

Mol formula: C₁₅H₂₀ClN₅O₃S

Mol weight: 393 Da

Catalog Number(s): C381277, CSC159242757, H714815

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Properties
SDS

Properties

LogP: 2.54

Heavy atoms count: 25

Rotatable bond count: 4

Number of rings: 4

Carbon bond saturation, Fsp3: 0.73333333333333

Polar surface area (Å): 95

Hydrogen bond acceptors count: 7

Hydrogen bond donors count: 1

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Items Overall 1 item from 1 supplier

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
Toronto Research Chemicals	50 days	Canada To:	90	100 mg	8,896	Go to cart Enquire
Description: (3aR,4S,6R,6aS)-6-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol-d7

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