chempirical

Deoxyadenosine

C10H13N5O3CAS 958-09-8251.25 g/mol

Open in Covalent MOL file
H2NNNNNOHHOO
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H13N5O3
Molar mass
251.25 g/mol
Exact mass
251.1018 Da
Melting point
187.5–189 °C
logP
-0.95Crippen estimate
Polar surface area
119.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
958-09-8
SMILES
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey
OLXZPDWKRNYJJZ-RRKCRQDMSA-N
InChI
InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • Adenosine, 2′-deoxy-
  • 2′-Deoxyadenosine
  • Adenine deoxyribonucleoside
  • Adenine deoxyribose
  • β-D-Erythro-Pentofuranoside, adenine-9 2-deoxy-
  • 9H-Purin-6-amine, 9-(2-deoxy-β-D-erythro-pentofuranosyl)-
  • 9H-Purin-6-amine, 9-(2-deoxy-β-D-ribofuranosyl)-
  • β-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-
  • Adenyldeoxyriboside
  • Desoxyadenosine
  • 9-(2-Deoxy-β-D-erythro-pentofuranosyl)adenine
  • dA
  • NSC 141848
  • NSC 143510
  • NSC 83258
  • 167: PN: US20040053876 SEQID: 167 unclaimed DNA
  • NQZ-035

Work with 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

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.

2'-Deoxyadenosine monohydrate16373-93-6Hydrate

Similar compounds

Deoxyinosine890-38-075 % similar Cladribine4291-63-871 % similar 2′-Deoxy-N6-methyladenosine2002-35-969 % similar Deoxyadenosine monophosphate653-63-467 % similar 8-Bromo-2'-deoxyadenosine14985-44-565 % similar 7-Deaza-7-iodo-2'-deoxyadenosine166247-63-865 % similar Vidarabine5536-17-463 % similar Adenosine58-61-763 % similar

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

Same formula

5′-Deoxyadenosine4754-39-6 Cordycepin73-03-0 Dideoxyguanosine85326-06-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia