chempirical

2-Amino-2′-deoxyadenosine

C10H14N6O3CAS 4546-70-7266.26 g/mol

Open in Covalent MOL file
NHNNNOHOHOH2NHN
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H14N6O3
Molar mass
266.26 g/mol
Exact mass
266.1127 Da
logP
-1.54Crippen estimate
Polar surface area
146.1 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
4546-70-7
SMILES
N=c1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(N)[nH]1
InChIKey
NOLHIMIFXOBLFF-KVQBGUIXSA-N
InChI
InChI=1S/C10H14N6O3/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H4,11,12,14,15)/t4-,5+,6+/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • 9H-Purine, 2,6-diamino-9-(2-deoxy-β-D-erythro-pentofuranosyl)-
  • Adenosine, 2-amino-2′-deoxy-
  • 2,6-Diamino-9-(2-deoxy-β-D-erythro-pentofuranosyl)purine
  • 2,6-Diaminopurine deoxyriboside
  • 2,6-Diamino-9-(2′-deoxy-β-D-ribofuranosyl)purine
  • 2-Amino-2′-desoxyadenosine
  • NSC 104303
  • 2,6-Diaminopurine-2′-deoxyriboside

Work with 2-Amino-2′-deoxyadenosine

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-Aminoadenosine2096-10-867 % similar Deoxyguanosine961-07-964 % similar Cladribine4291-63-862 % similar 2-Amino-3′-O-methyladenosine80791-88-462 % similar Deoxyadenosine958-09-860 % similar Deoxyinosine890-38-054 % similar 5-Aza-2′-deoxycytidine2353-33-553 % similar 2′-Deoxy-N6-methyladenosine2002-35-951 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook