chempirical

Deoxyinosine

C10H12N4O4CAS 890-38-0252.23 g/mol

Open in Covalent MOL file
OHONNOHNNHO
AlcoholEtherPhenol

Properties

Molecular formula
C10H12N4O4
Molar mass
252.23 g/mol
Exact mass
252.0859 Da
Melting point
above 250 °C (decomposes)
logP
-0.83Crippen estimate
Polar surface area
113.5 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
890-38-0
SMILES
OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O
InChIKey
VGONTNSXDCQUGY-RRKCRQDMSA-N
InChI
InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • Inosine, 2′-deoxy-
  • 2′-Deoxyinosine
  • Hypoxanthine, 9-(2-deoxy-β-D-erythro-pentofuranosyl)-
  • 9-(2-Deoxy-β-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one
  • 6H-Purin-6-one, 9-(2-deoxy-β-D-erythro-pentofuranosyl)-1,9-dihydro-
  • Hypoxanthine deoxyriboside

Work with Deoxyinosine

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

Deoxyadenosine958-09-875 % similar 2′-Deoxy-N6-methyladenosine2002-35-969 % similar Inosine58-63-963 % similar Didanosine69655-05-662 % similar N-Benzoyl-2′-deoxyadenosine4546-72-961 % similar Cladribine4291-63-858 % similar Deoxyguanosine961-07-958 % similar 5-Aza-2′-deoxycytidine2353-33-555 % similar

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

Same formula

Nebularine550-33-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook