chempirical

2,2'-Anhydro-1-beta-arabinofuranosylthymine

C10H12N2O5CAS 22423-26-3240.21 g/mol

Open in Covalent MOL file
NOOHOHONO
AlcoholEther

Properties

Molecular formula
C10H12N2O5
Molar mass
240.21 g/mol
Exact mass
240.0746 Da
logP
-1.44Crippen estimate
Polar surface area
93.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1
Stereocentres
R, S, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
22423-26-3
SMILES
CC1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O
InChIKey
WLLOAUCNUMYOQI-JAGXHNFQSA-N
InChI
InChI=1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5-7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1

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Names and synonyms

1 names
  • 2,2'-Anhydro-5-methyluridine

Work with 2,2'-Anhydro-1-beta-arabinofuranosylthymine

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

Cmc.hci51391-96-970 % similar 2,2′-Anhydrouridine3736-77-465 % similar 5-Methyl-2′-O-methyluridine55486-09-457 % similar 2'-o-(2-Methoxyethyl)-5-methylcytidine244105-55-354 % similar 5-Methyluridine1463-10-154 % similar 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-254 % similar Ancitabine hydrochloride10212-25-653 % similar 2'-O-(2-Methoxyethyl)-5-methyl-uridine163759-49-752 % similar

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

Same formula

Dinoterb1420-07-1 4-tert-Butyl-2,6-dinitrophenol4097-49-8 Dinoseb88-85-7

Elsewhere

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