chempirical

2'-Deoxypseudouridine

C9H12N2O5CAS 39967-60-7228.20 g/mol

Open in Covalent MOL file
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. Search the SDS library

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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