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

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
H302 Harmful if swallowed40% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation20% of notifiers
H360 May damage fertility or the unborn child20% of notifiers
H361 Suspected of damaging fertility or the unborn child60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Adenosine, 2-chloro-, hydrate (2:1)81012-94-4Hydrate

Similar compounds

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 2-Iodoadenosine35109-88-775 % 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