Basic information
- CAS
14985-34-3- Standard SMILES
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1Cc1ccccc1- InChIKey
DBYRVSQCTWOQRS-NMFUWQPSSA-N- Molecular formula
- C16H18N2O6
- Average molar mass
- 334.32 g/mol
- Monoisotopic mass
- 334.1164863
Overview
structure given in first source
Names & identifiers
- Preferred name
- N(3)-Benzyluridine
- IUPAC
- 3-benzyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- English name
- N(3)-benzyluridine
- Molecular formula
- C16H18N2O6
- Molecular weight
- 334.32
Names & synonyms
N(3)-Benzyluridine14985-34-3RefChem:160670Uridine, 3-(phenylmethyl)-3-Benzyluridinen3-benzyluridineSCHEMBL5862348DTXSID008780243-Benzyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
14985-34-3- PubChem CID
- 84744
- DTXSID
DTXSID00878024- Nikkaji
- J366.140G
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Boiling point
- 589.1 · 589.1±60.0 °C(Predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Predicted)
- pka
- 13.26 · 13.26±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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