2',3'-Dideoxythymidine

C10H14N2O4CAS 3416-05-5226.23 g/mol

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NONHOOOH
AlcoholEther

Properties

Molecular formula
C10H14N2O4
Molar mass
226.23 g/mol
Exact mass
226.0954 Da
logP
-0.49Crippen estimate
Polar surface area
84.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
R, Sin 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
3416-05-5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChIKey
XKKCQTLDIPIRQD-JGVFFNPUSA-N
InChI
InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1

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

Work with 2',3'-Dideoxythymidine

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

5-Iodo-2',3'-dideoxyuridine105784-83-674 % similar 2',3'-Dideoxyuridine5983-09-557 % similar 2'-Fluorothymidine122799-38-654 % similar 2'-O-(2-Methoxyethyl)-5-methyl-uridine163759-49-749 % similar 5'-O-Tritylthymidine7791-71-145 % similar 1-((1S,3R,4R,7S)-7-Hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione206055-67-645 % similar 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid20924-05-440 % similar 5-Chlorouridine2880-89-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester124750-59-0 N,N-Dimethyl-p-phenylenediamine oxalate24631-29-6 Carbidopa28860-95-9 3,4,5-Trimethoxybenzohydrazide3291-03-0 L-Lysine diisocyanate45172-15-4 N1,N1-Dimethyl-1,4-benzenediamine ethanedioate (2:1)62778-12-5

Elsewhere

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