Benzyladenosine

C₁₇H₁₉N₅O₄CAS 4294-16-0357.37 g/mol

Open in Covalent MOL file

Alcohol Ether Secondary amine

Properties

Molecular formula: C₁₇H₁₉N₅O₄
Molar mass: 357.37 g/mol
Exact mass: 357.1437 Da
Density: 1.48 g/mL
Melting point: 177–179 °C
logP: 0.05Crippen estimate
Polar surface area: 125.5 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 5
Stereocentres: R, R, R, Sin SMILES atom order

Identifiers

CAS number

4294-16-0

SMILES

OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

InChIKey

MRPKNNSABYPGBF-LSCFUAHRSA-N

InChI

InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all

NQZ-004
CM 223
Adenosine, N-(phenylmethyl)-
Adenosine, N-benzyl-
N-(Phenylmethyl)adenosine
6-(Benzylamino)-9-β-D-ribofuranosylpurine
6-Benzyladenosine
6-(Benzylamino)purine riboside
N-Benzyladenosine
N6-Benzyladenosine
Benzyladenine riboside
6-(Benzylamino)purine 9-β-ribofuranoside
9-β-D-Ribofuranosyl-6-benzyladenine
N6-Benzyladenine 9-riboside
NSC 70423
6-Benzyladenine riboside

Work with Benzyladenosine

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

Kinetin riboside4338-47-074 % similar Adenosine, N-[(5-bromo-2-thienyl)methyl]-1706525-09-869 % similar N6-Methyladenosine1867-73-868 % similar Zeatin riboside6025-53-264 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-063 % similar 6-Chloropurine riboside5399-87-163 % similar Vidarabine5536-17-461 % similar Adenosine58-61-761 % similar

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

Elsewhere

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