2-Amino-6-chloropurine riboside

C₁₀H₁₂ClN₅O₄CAS 2004-07-1301.69 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether

Properties

Molecular formula: C₁₀H₁₂ClN₅O₄
Molar mass: 301.69 g/mol
Exact mass: 301.0578 Da
Melting point: 171–172 °C (decomposes)
logP: -1.50Crippen estimate
Polar surface area: 140.3 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 2
Stereocentres: R, R, S, Rin SMILES atom order

Identifiers

CAS number

2004-07-1

SMILES

N=c1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(Cl)[nH]1

InChIKey

TXWHPSZYRUHEGT-UUOKFMHZSA-N

InChI

InChI=1S/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)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

7 names

9H-Purin-2-amine, 6-chloro-9-β-D-ribofuranosyl-
6-Chloroguanosine
9H-Purine, 2-amino-6-chloro-9-β-D-ribofuranosyl-
6-Chloro-9-β-D-ribofuranosyl-9H-purin-2-amine
2-Amino-6-chloropurine ribonucleoside
NSC 44586
2-Amino-6-chloro-9-β-D-ribofuranosylpurine

Work with 2-Amino-6-chloropurine riboside

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

2-Aminoadenosine2096-10-875 % similar 2-Aminopurine riboside4546-54-766 % similar (2R,3R,4S,5R)-2-(2,6-Dichloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol13276-52-365 % similar Guanosine118-00-364 % similar 9-β-D-Arabinofuranosylguanine38819-10-264 % similar Guanosine85-30-364 % similar Thioguanosine85-31-464 % similar Nelarabine121032-29-961 % similar

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

Same formula

2-Chloroadenosine146-77-0

Elsewhere

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