chempirical

Pseudouridine

C9H12N2O6CAS 1445-07-4244.20 g/mol

Open in Covalent MOL file
OHONOHNHOOHHO
AlcoholEtherPhenol

Properties

Molecular formula
C9H12N2O6
Molar mass
244.20 g/mol
Exact mass
244.0695 Da
Melting point
222 °C
logP
-1.96Crippen estimate
Polar surface area
136.2 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
2
Stereocentres
R, S, R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1445-07-4
SMILES
OC[C@H]1O[C@@H](c2cnc(O)nc2O)[C@H](O)[C@@H]1O
InChIKey
PTJWIQPHWPFNBW-GBNDHIKLSA-N
InChI
InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • 2,4(1H,3H)-Pyrimidinedione, 5-β-D-ribofuranosyl-
  • Uracil, 5-β-D-ribofuranosyl-
  • 5-β-D-Ribofuranosyl-2,4(1H,3H)-pyrimidinedione
  • Pseudouridine C
  • 5-Ribosyluracil
  • β-Pseudouridine
  • β-D-Pseudouridine
  • ψ-Uridine
  • 5-(β-D-Ribofuranosyl)uracil
  • NSC 162405
  • 1: PN: WO2017201317 SEQID: 1 claimed DNA

Work with Pseudouridine

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-(5-O-Phosphono-β-D-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione1157-60-464 % similar N1-Methylpseudouridine13860-38-354 % similar 3-Methyl-5-beta-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione81691-06-751 % similar Xanthosine146-80-548 % similar 2-Thiopseudouridine59464-18-540 % similar Isoguanosine1818-71-940 % similar Inosine58-63-939 % similar 5-Hydroxyuridine957-77-739 % similar

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

Same formula

L-Uridine26287-69-4 Uracil arabinoside3083-77-0 Uridine58-96-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia