Basic information
- CAS
37440-30-5- Standard SMILES
Cc1ccc(S(=O)(=O)On2c(=O)[nH]c(=O)c3nccnc32)cc1- InChIKey
AUAFLOAURLQBBV-UHFFFAOYSA-N- Molecular formula
- C13H10N4O5S
- Average molar mass
- 334.31 g/mol
- Monoisotopic mass
- 334.03719061
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-
- IUPAC
- (2,4-dioxopteridin-1-yl) 4-methylbenzenesulfonate
Names & synonyms
37440-30-52,4(1H,3H)-Pteridinedione, 1-(((4-methylphenyl)sulfonyl)oxy)-DTXSID909585414-Hydroxy-2-oxopteridin-1(2H)-yl 4-methylbenzene-1-sulfonate4-Hydroxy-1-[(4-methylbenzene-1-sulfonyl)oxy]pteridin-2(1H)-one
Database identifiers
- CAS
37440-30-5- PubChem CID
- 186604
- DTXSID
DTXSID90958541
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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