chempirical

5′-Deoxyadenosine

C10H13N5O3CAS 4754-39-6251.25 g/mol

Open in Covalent MOL file
ONNNH2NNOHHO
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H13N5O3
Molar mass
251.25 g/mol
Exact mass
251.1018 Da
Melting point
205–207 °C
logP
-0.95Crippen estimate
Polar surface area
119.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
1
Stereocentres
R, R, R, Sin 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
4754-39-6
SMILES
C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey
XGYIMTFOTBMPFP-KQYNXXCUSA-N
InChI
InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

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

Names and synonyms

1 names
  • Adenosine, 5′-deoxy-

Work with 5′-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

Vidarabine5536-17-467 % similar Adenosine58-61-767 % similar 5′-Chloro-5′-deoxyadenosine892-48-865 % similar 5′-Methylthioadenosine2457-80-965 % similar 3′-O-Methyladenosine10300-22-860 % similar 3'-Fluoro-3'-deoxyadenosine75059-22-258 % similar 2′-O-Methyladenosine2140-79-657 % similar Vidarabine phosphate29984-33-657 % similar

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

Same formula

Cordycepin73-03-0 Dideoxyguanosine85326-06-3 Deoxyadenosine958-09-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook