Basic information
- CAS
2577-38-0- Standard SMILES
O=c1cnc2c(=O)[nH]c(=O)[nH]c2[nH]1- InChIKey
BCVUYVOMXUKYFC-UHFFFAOYSA-N- Molecular formula
- C6H4N4O3
- Average molar mass
- 180.12 g/mol
- Monoisotopic mass
- 180.02834
Overview
2,4,7-trihydroxypteridine is a member of the class of pteridines that is pteridine in which the hydrogens at positions 2, 4, and 7 have been replaced by hydroxy groups. It is a member of pteridines and a heteroaryl hydroxy compound.
Names & identifiers
- Preferred name
- Violapterin
- IUPAC
- 1,8-dihydropteridine-2,4,7-trione
- English name
- violapterin
- Molecular formula
- C6H4N4O3
- Molecular weight
- 180.12
Names & synonyms
ViolapterinIsoxantholumazine2577-38-0Lumazine, 7-hydroxy-2,4,7-Pteridinetriol2,4,6-Trihydroxypteridine3H368N1B88DTXSID30180440RefChem:194369DTXCID401029312,4,7-Trihydroxypteridine7-Hydroxylumazine
Show more names
2,4,7(1H,3H,8H)-Pteridinetrione1,8-dihydropteridine-2,4,7-trionePteridine-2,4,7(1H,3H,8H)-trioneNSC-4055912,7-PteridinetriolNSC 405591starbld00046902,7-Trihydroxypteridine
Database identifiers
- CAS
2577-38-0- PubChem CID
- 75734
- DTXSID
DTXSID30180440- ChEBI
CHEBI:85515- UNII
- 3H368N1B88
- Nikkaji
- J101.896E
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 312.91 °C · 312.91°C (rough estimate)
- Density
- 1.601 · 1.6010 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- pka
- 7.6 · 7.60±0.20(Predicted)
- Water Solubility
- 83.33 mg/L · 83.33mg/L(20 ºC)
- FDA UNII
- 3 H368N1B88 · 3H368N1B88
Chemistry & industry
Suppliers1 total
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Additional notes
DefinitionChEBI: 2,4,7-trihydroxypteridine is a member of the class of pteridines that is pteridine in which the hydrogens at positions 2, 4, and 7 have been replaced by hydroxy groups. It is a member of pteridines and a heteroaryl hydroxy compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…