9-[(2R,4aR,6R,7R,7aS)-7-hydroxy-2-oxo-2-(sodiosulfanyl)-hexahydro-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-[(4-chlorophenyl)sulfanyl]-6,9-dihydro-3H-purin-6-one

Compound number:
MolPort-039-052-228
CAS number: 208445-07-2
IUPAC:
9-[(2R,4aR,6R,7R,7aS)-7-hydroxy-2-oxo-2-(sodiosulfanyl)-hexahydro-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-[(4-chlorophenyl)sulfanyl]-6,9-dihydro-3H-purin-6-one
IUPAC traditional:
9-[(2R,4aR,6R,7R,7aS)-7-hydroxy-2-oxo-2-(sodiosulfanyl)-tetrahydro-4H-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-[(4-chlorophenyl)sulfanyl]-3H-purin-6-one
SMILES:
Nc1nc(=O)c2nc(Sc3ccc(Cl)cc3)n([C@@H]3O[C@@H]4CO[P@](=O)(O[C@H]4[C@H]3O)S[Na])c2[nH]1
InChI key:
JERAACMSJYSCBY-TXBWCVORSA-M
Molecular formula:
C16H14ClN5NaO6PS2
Molecular weight: 525.85
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >99%
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More Information

Compound Identifiers
Compound number: MolPort-039-052-228
CAS number: 208445-07-2

Names, Synonyms and 3rd Party Identifiers
Rp-8-pCPT-cGMPS sodium

InChI
InChI: 1S/C16H15ClN5O6PS2.Na/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(27-14)5-26-29(25,30)28-11;/h1-4,8,10-11,14,23H,5H2,(H,25,30)(H3,18,20,21,24);/q;+1/p-1/t8-,10-,11-,14-,29-;/m1./s1
InChI key: JERAACMSJYSCBY-TXBWCVORSA-M

Calculated Properties
Molecular formula: C16H14ClN5NaO6PS2
Molecular weight: 525.85

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2019 MolPort, v3.17, release date 23-09-2019 12:00 (+0200). All rights reserved.
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