7,8-Dihydro-6-(2-hydroxy-1-oxopropyl)-2,4(1H,3H)-pteridinedione
Basic information
- CAS
14331-49-8- Standard SMILES
CC(O)C(=O)C1=Nc2c([nH]c(=O)[nH]c2=O)NC1- InChIKey
PINNBMAOEJRIQL-UHFFFAOYSA-N- Molecular formula
- C9H10N4O4
- Average molar mass
- 238.2 g/mol
- Monoisotopic mass
- 238.07020481
Overview
Xanthopterin-B2 is a member of the class of pteridines that is 7,8-dihydropteridine-2,4(1H,3H)-dione carrying a lactoyl group at position 6. It has a role as an animal metabolite. It is a secondary alpha-hydroxy ketone and a member of pteridines. It is functionally related to a rac-lactic acid.
Names & identifiers
- Preferred name
- 7,8-Dihydro-6-(2-hydroxy-1-oxopropyl)-2,4(1H,3H)-pteridinedione
- IUPAC
- 6-(2-hydroxypropanoyl)-7,8-dihydro-1H-pteridine-2,4-dione
- English name
- Xanthopterin-B2
- Molecular formula
- C9H10N4O4
- Molecular weight
- 238.2
Names & synonyms
Xanthopterin-B214331-49-8CHEBI:17953DTXSID703314346-lactoyl-7,8-dihydropteridine-2,4(1H,3H)-dione1-(7,8-Dihydro-2,4-dihydroxypteridin-6-yl)-2-hydroxypropan-1-oneRefChem:935988DTXCID202825287,8-Dihydro-6-(2-hydroxy-1-oxopropyl)-2,4(1H,3H)-pteridinedione6-(2-hydroxypropanoyl)-7,8-dihydro-1H-pteridine-2,4-dioneC02333Q27102734
Show more names
2,4(1H,3H)-Pteridinedione, 7,8-dihydro-6-(2-hydroxy-1-oxopropyl)-
6-(2-Hydroxypropanoyl)-7,8-dihydropteridine-2,4(1H,3H)-dione
Database identifiers
- CAS
14331-49-8- PubChem CID
- 439706
- DTXSID
DTXSID70331434- ChEBI
CHEBI:17953- Nikkaji
- J2.736.236B
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Density
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- pka
- 12.01 · 12.01±0.40(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Xanthopterin-B2 is a member of the class of pteridines that is 7,8-dihydropteridine-2,4(1H,3H)-dione carrying a lactoyl group at position 6. It has a role as an animal metabolite. It is a member of pteridines and a secondary alpha-hydroxy ketone. It is functionally related to a rac-lactic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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