2,4-Dihydroxy-5-pyrimidinylsulfamic acid
Basic information
- CAS
5435-16-5- Standard SMILES
O=c1[nH]cc(NS(=O)(=O)O)c(=O)[nH]1- InChIKey
ZZRMMIWUJLCXPF-UHFFFAOYSA-N- Molecular formula
- C4H5N3O5S
- Average molar mass
- 207.17 g/mol
- Monoisotopic mass
- 206.99499144
Names & identifiers
- Preferred name
- 2,4-Dihydroxy-5-pyrimidinylsulfamic acid
- IUPAC
- (2,4-dioxo-1H-pyrimidin-5-yl)sulfamic acid
- English name
- 5-Sulfaminouracil
- Molecular formula
- C4H5N3O5S
- Molecular weight
- 207.17
Names & synonyms
5435-16-52,4-Dihydroxy-5-pyrimidinylsulfamic acidSULFAMINOURACIL(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfamic acid(2,4-dioxo-1H-pyrimidin-5-yl)sulfamic acid2,4-Dihydroxy-5-sulfaminopyrimidineNSC20117Sulfamic acid, (1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-NSC22475NSC 20117SCHEMBL190171DTXSID60202725
Show more names
5-SulfaminouracilsulfaminouracilcrystallineSulfamic acid, N-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-
NSC-20117NSC-22475(2,4-dihydroxypyrimidin-5-yl)sulfamic acidNS00040643
Database identifiers
- CAS
5435-16-5- PubChem CID
- 227929
- DTXSID
DTXSID60202725- Nikkaji
- J1.801.371A
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Density
- 1.976 · 1.976±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 0.553 · 0.553±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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