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Deshydroxyethoxy-2,3-O-(dimethylmethylene) Ticagrelor , CAS No.274693-49-1
Disponível para encomenda
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores
Sorrisos canónicos
CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C4C3OC(O4)(C)C)O)NC5CC5C6=CC(=C(C=C6)F)F
IUPAC Name
(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
InChIKey
GIHHRVYXULTCNA-FNOIDJSQSA-N
INCHI
1S/C24H28F2N6O3S/c1-4-7-36-23-28-21(27-15-9-12(15)11-5-6-13(25)14(26)8-11)18-22(29-23)32(31-30-18)16-10-17(33)20-19(16)34-24(2,3)35-20/h5-6,8,12,15-17,19-20,33H,4,7,9-10H2,1-3H3,(H,27,28,29)/t12-,15+,16+,17-,19-,20+/m0/s1
SMILES isoméricas
CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@@H]4[C@H]3OC(O4)(C)C)O)N[C@@H]5C[C@H]5C6=CC(=C(C=C6)F)F
PubChem CID
72947056
Peso molecular
518.58
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Estrutura 3D
Modelo de Estrutura Química Interativa
Certificados（CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
| Peso molecular | 518.600 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 518.191 Da |
| Monoisotopic Mass | 518.191 Da |
| Topological Polar Surface Area | 133.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 803.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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