1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol
Basic information
- CAS
81691-06-7- Standard SMILES
Cn1c(=O)[nH]cc(C2OC(CO)C(O)C2O)c1=O- InChIKey
DXEJZRDJXRVUPN-UHFFFAOYSA-N- Molecular formula
- C10H14N2O6
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.08518617
Names & identifiers
- Preferred name
- 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol
- IUPAC
- 5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
- English name
- 3-methylpseudouridine
- Molecular formula
- C10H14N2O6
- Molecular weight
- 258.23
Names & synonyms
SCHEMBL18512859DTXSID101002125NSC363818NSC-3638181,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitolNSC 3638183-Methylpsedouridine3-methylpseudouridineN3-MethylpseudouridineRNA-modified nucleoside m32,4(1H,3H)-Pyrimidinedione, 3-methyl-5-β-D-ribofuranosyl-3-Methyl-5-beta-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione
Show more names
3-?methyl-?5-?β-?D-?ribofuranosyl-2,?4(1H,?3H)?-?Pyrimidinedione3-Methylpseudouridine, RNA modified nucleoside, m3?, Pseudouridine impurity5-((2S,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
81691-06-7- PubChem CID
- 338949
- DTXSID
DTXSID101002125
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Density
- 1.576 · 1.576±0.06 g/cm3(Predicted)
- pka
- 9.88 · 9.88±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Methylpseudouridine is used for increasing viability or longevity of organ or organ explant using modified mRNAs for proteins essential for organ survival.
Uses3-Methylpseudouridine (CAS# 81691-06-7) is used for increasing viability or longevity of organ or organ explant using modified mRNAs for proteins essential for organ survival.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 3-Methylpseudouridine is a carbohydrate derivative and a nucleobase-containing molecular entity.
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Compound notes
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