Basic information
- CAS
1672-28-2- Standard SMILES
Cn1c(=O)c2c(ncn2CCCS(=O)(=O)O)n(C)c1=O- InChIKey
RSTSVFVCHWLPHQ-UHFFFAOYSA-N- Molecular formula
- C10H14N4O5S
- Average molar mass
- 302.31 g/mol
- Monoisotopic mass
- 302.06849073
Names & identifiers
- Preferred name
- 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid
- IUPAC
- 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonic acid
- English name
- 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid
- Molecular formula
- C10H14N4O5S
- Molecular weight
- 302.31
Names & synonyms
1672-28-21,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonic acidRSTSVFVCHWLPHQ-UHFFFAOYSA-NEINECS 216-805-7Y8MLS4HKX71,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulfonic acid7h-purine-7-propanesulfonic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-SCHEMBL6391343DTXSID401682393-(1,3-Dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propane-1-sulfonic acid1-(7-Theophyllinyl)-3-propanesulfonic acid
Show more names
3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propane-1-sulfonic acid3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propane-1-sulfonic acid1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-(1-propanesulfonic acid)
NS000466043-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propane-1-sulfonic acid
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 516
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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