chempirical

Aminonucleoside

C12H18N6O3CAS 58-60-6294.31 g/mol

Open in Covalent MOL file
NNNNNOOHNH2HO
AlcoholEtherPrimary amineTertiary amine

Properties

Molecular formula
C12H18N6O3
Molar mass
294.31 g/mol
Exact mass
294.1440 Da
Melting point
215–216 °C
logP
-1.53Crippen estimate
Polar surface area
122.5 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
3
Stereocentres
R, S, S, Rin SMILES atom order

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P319, P501

Identifiers

CAS number
58-60-6
SMILES
CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O
InChIKey
RYSMHWILUNYBFW-GRIPGOBMSA-N
InChI
InChI=1S/C12H18N6O3/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(20)7(13)6(3-19)21-12/h4-7,9,12,19-20H,3,13H2,1-2H3/t6-,7-,9-,12-/m1/s1

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Names and synonyms

12 names
  • Adenosine, 3′-amino-3′-deoxy-N,N-dimethyl-
  • 3′-Amino-3′-deoxy-N,N-dimethyladenosine
  • SAN
  • Stylomycin aminonucleoside
  • Puromycin, aminonucleoside
  • 9-(3-Amino-3-deoxy-β-D-ribofuranosyl)-6-(dimethylamino)-9H-purine
  • 6-(Dimethylamino)-9-(3-amino-3-deoxy-β-D-ribofuranosyl)purine
  • Aminonucleoside puromycin
  • 3′-Amino-3′-deoxy-N6,N6-dimethyladenosine
  • 6-Dimethylamino-9-(3-amino-3-deoxyribosyl)purine
  • NSC 3056
  • PANS

Work with Aminonucleoside

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

N6-Dimethyladenosine2620-62-481 % similar Vidarabine5536-17-458 % similar Adenosine58-61-758 % similar Puromycin53-79-257 % similar 6-Methylpurine riboside14675-48-057 % similar 3′-O-Methyladenosine10300-22-856 % similar Inosine58-63-955 % similar Puromycin hydrochloride58-58-255 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook