3'-Deoxyuridine

C9H12N2O5CAS 7057-27-4228.20 g/mol

Open in Covalent MOL file
OOHNONHOOH
AlcoholEther

Properties

Molecular formula
C9H12N2O5
Molar mass
228.20 g/mol
Exact mass
228.0746 Da
logP
-1.82Crippen estimate
Polar surface area
104.5 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2
Stereocentres
S, R, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
7057-27-4
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO
InChIKey
QOXJRLADYHZRGC-SHYZEUOFSA-N
InChI
InChI=1S/C9H12N2O5/c12-4-5-3-6(13)8(16-5)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1

Weigh it out

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

Work with 3'-Deoxyuridine

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

L-Uridine26287-69-463 % similar 2',3'-Dideoxyuridine5983-09-562 % similar 2'-Chloro-2'-deoxyuridine4753-04-258 % similar 2'-Fluoro-2'-deoxyuridine784-71-458 % similar 3'-O-Methyluridine6038-59-156 % similar 2'-O-(2-Methoxyethyl)uridine223777-15-952 % similar 2'-C-Methyluridine31448-54-149 % similar 2-Thiouridine20235-78-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitro-L-phenylalanine monohydrate207591-86-4 Zebularine3690-10-6 2'-Deoxypseudouridine39967-60-7 Deoxyuridine951-78-0

Elsewhere

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