2-Chloroadenosine hemihydrate - ≥97% , CAS No.81012-94-4

CAS: 81012-94-4 Cat. No.: C136041 Summenformel: C₁₀H₁₂ClN₅O₄ · 0.5H₂O Molekulargewicht: 310.69 EG-Nummer: 630-491-2 PubChem CID: 16218624

GRADE & PURITY ≥97%

Synonyms

2-Chloroadenosine hemihydrate | SCHEMBL489871 | 2-Chloroadenosine hemihydrate, 97% | WRURCFOLSGPTMO-IZGCVNAISA-N | (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol hemihydrate | A840019 | AKOS024462537 | DS-7823

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-Chloroadenosine hemihydrate | SCHEMBL489871 | 2-Chloroadenosine hemihydrate, 97% | WRURCFOLSGPTMO-IZGCVNAISA-N | (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol hemihydrate | A840019 | AKOS024462537 | DS-7823

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488199317
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199317
• Kanonisches Lächeln: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N.C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N.O
• IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate
• InChIKey: WRURCFOLSGPTMO-IZGCVNAISA-N
• INCHI: 1S/2C10H12ClN5O4.H2O/c2*11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9;/h2*2-3,5-6,9,17-19H,1H2,(H2,12,14,15);1H2/t2*3-,5-,6-,9-;/m11./s1
• Isomere SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)N.C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)N.O
• WGK Deutschland: 3
• PubChem CID: 16218624
• Molekulargewicht: 310.69

Zugehörige Ziele (menschlich)

ADORA1 Tclin Adenosine receptor A1 (0 Activities)

Discover Target: ADORA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADORA3 Tchem Adenosine receptor A3 (0 Activities)

Discover Target: ADORA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 160 °C
• Molekulargewicht: 621.400 g/mol
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 4
• Exact Mass: 620.126 Da
• Monoisotopic Mass: 620.126 Da
• Topological Polar Surface Area: 280.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 367.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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: 3

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 81012-94-4, the molecular formula is C10H12ClN5O4 · 0.5H2O, and the molecular weight is 310.69 g/mol. InChIKey WRURCFOLSGPTMO-IZGCVNAISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.