chempirical

Deoxyguanosine

C10H13N5O4CAS 961-07-9267.24 g/mol

Open in Covalent MOL file
NHNHONNOHOHONH
AlcoholEtherPhenol

Properties

Molecular formula
C10H13N5O4
Molar mass
267.24 g/mol
Exact mass
267.0968 Da
Melting point
250 °C
logP
-1.41Crippen estimate
Polar surface area
140.3 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
961-07-9
SMILES
N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1
InChIKey
YKBGVTZYEHREMT-KVQBGUIXSA-N
InChI
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1

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Names and synonyms

9 names
  • Guanosine, 2′-deoxy-
  • 2′-Deoxyguanosine
  • Guanine, 9-(2-deoxy-β-D-erythro-pentofuranosyl)-
  • Guanine deoxyriboside
  • NSC 22837
  • 9-(2-Deoxy-β-D-erythro-pentofuranosyl)guanine
  • 212: PN: WO2012148497 TABLE: 6 claimed sequence
  • 13: PN: CN104513856 PAGE: 2 claimed sequence
  • 2′-Deoxyguanine

Work with Deoxyguanosine

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

Deoxyguanosine monophosphate902-04-570 % similar Guanosine118-00-367 % similar 9-Beta-D-arabinofuranosylguanine38819-10-267 % similar Guanosine85-30-367 % similar Deoxyguanosine 5′-monophosphate disodium salt33430-61-466 % similar Dideoxyguanosine85326-06-366 % similar 2-Amino-2′-deoxyadenosine4546-70-764 % similar 2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one103884-98-662 % similar

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

Same formula

Azidothymidine30516-87-1 3'-Deoxyguanosine3608-58-0 2-Aminopurine riboside4546-54-7 Vidarabine5536-17-4 Adenosine58-61-7

Elsewhere

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