2-Chloroadenosine

C₁₀H₁₂ClN₅O₄CAS 146-77-0301.69 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Primary amine

Properties

Molecular formula: C₁₀H₁₂ClN₅O₄
Molar mass: 301.69 g/mol
Exact mass: 301.0578 Da
Melting point: 135 °C
logP: -1.33Crippen estimate
Polar surface area: 139.5 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 2
Stereocentres: R, R, S, Rin SMILES atom order

Identifiers

CAS number

146-77-0

SMILES

Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChIKey

BIXYYZIIJIXVFW-UUOKFMHZSA-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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Adenosine, 2-chloro-
2-Chloro-D-adenosine
Antibiotic AT 265B
NSC 36896
CADO

Work with 2-Chloroadenosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Adenosine, 2-chloro-, hydrate (2:1)81012-94-494 % similar Clofarabine123318-82-180 % similar (2R,3R,4S,5R)-2-(2,6-Dichloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol13276-52-378 % similar Isoguanosine1818-71-976 % similar 2-Fluoroadenosine146-78-175 % similar Fludarabine21679-14-175 % similar Vidarabine5536-17-470 % similar Adenosine58-61-770 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-6-chloropurine riboside2004-07-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook