Deoxyuridine

C₉H₁₂N₂O₅CAS 951-78-0228.20 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₉H₁₂N₂O₅
Molar mass: 228.20 g/mol
Exact mass: 228.0746 Da
Melting point: 163 °C
logP: -1.41Crippen estimate
Polar surface area: 104.8 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2
Stereocentres: R, S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed40% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation40% of notifiers
H319 Causes serious eye irritation40% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation40% of notifiers
H400 Very toxic to aquatic life20% of notifiers
H410 Very toxic to aquatic life with long lasting effects20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

951-78-0

SMILES

O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1

InChIKey

MXHRCPNRJAMMIM-SHYZEUOFSA-N

InChI

InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)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.

Names and synonyms

9 names

Uridine, 2′-deoxy-
2′-Deoxyuridine
Uracil deoxyriboside
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-β-D-erythro-pentofuranosyl)-
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-β-D-ribofuranosyl)-
Deoxyribose uracil
2′-Desoxyuridine
1-(2-Deoxy-β-D-erythro-pentofuranosyl)uracil
NSC 23615

Work with 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

Telbivudine3424-98-465 % similar Thymidine50-89-565 % similar 5-Chloro-2′-deoxyuridine50-90-863 % similar Floxuridine50-91-963 % similar 5-Hydroxymethyl-2′-deoxyuridine5116-24-563 % similar 5-Iodo-2′-deoxyuridine54-42-263 % similar Bromodeoxyuridine59-14-363 % similar Deoxyuridine 5′-monophosphate disodium salt42155-08-863 % 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 3'-Deoxyuridine7057-27-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia