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2-Chloro Adenosine

CAT: 0572-TRC-C364000-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C364000-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
146-77-0
Synonyms
Adenosine, 2-chloro-; 2-Chloroadenosine; 2-Chloro-D-adenosine; Antibiotic AT 265B; CADO; NSC 36896
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Nc1nc(Cl)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Molecular Formula
C10 H12 Cl N5 O4
Molecular Weight
301.69
InChI
InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
Additionnal Information
IUPAC name: (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Chloroadenosine

(2R,3R,4S,5R)-2-(6-amino-2-chloro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol is a purine nucleoside.

CAS Number146-77-0
PubChem CID8974
IUPAC Name(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC10H12ClN5O4
Molecular Weight301.69
XLogP-0.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity367
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)N
InChI
InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey
BIXYYZIIJIXVFW-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloroadenosine
CAS: 146-77-0
CID: 8974
Formula: C10H12ClN5O4
MW: 301.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.69
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass301.0577816
Monoisotopic Mass301.0577816
Topological Polar Surface Area140 Ų
Heavy Atom Count20
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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