2'-Deoxypseudouridine

C9H12N2O5CAS 39967-60-7228.20 g/mol

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ONHONHOOHHO
AlcoholEther

Properties

Molecular formula
C9H12N2O5
Molar mass
228.20 g/mol
Exact mass
228.0746 Da
logP
-1.75Crippen estimate
Polar surface area
115.4 Ų
H-bond donors / acceptors
4 / 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
39967-60-7
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)CO)O
InChIKey
ASOJEESZSWWNQK-RRKCRQDMSA-N
InChI
InChI=1S/C9H12N2O5/c12-3-7-5(13)1-6(16-7)4-2-10-9(15)11-8(4)14/h2,5-7,12-13H,1,3H2,(H2,10,11,14,15)/t5-,6+,7+/m0/s1

Weigh it out

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

Work with 2'-Deoxypseudouridine

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-[4-Hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione2140-68-355 % similar 1,3-Dimethyl-2'-deoxypseudouridine65358-16-946 % similar 2-Thiopseudouridine59464-18-544 % similar 7-Deaza-7-iodo-2'-deoxyguanosine172163-62-136 % similar N1-Ethylpseudouridine1613529-72-834 % similar Methyl 2-deoxy-D-erythro-pentofuranoside60134-26-133 % similar Uracil-5-boronic acid70523-22-733 % similar N1-Benzyl pseudouridine1613530-22-533 % 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 3'-Deoxyuridine7057-27-4 Deoxyuridine951-78-0

Elsewhere

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