[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-YL)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate
Basic information
- CAS
25030-31-3- Standard SMILES
Nc1ncnc2c1ncn2C1OC(COS(N)(=O)=O)C(O)C1O- InChIKey
GNZLUJQJDPRUTD-UHFFFAOYSA-N- Molecular formula
- C10H14N6O6S
- Average molar mass
- 346.32 g/mol
- Monoisotopic mass
- 346.06955336
Names & identifiers
- Preferred name
- [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-YL)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate
- IUPAC
- [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
- English name
- Adenosine, 5'-sulfaMate
- Molecular formula
- C10H14N6O6S
- Molecular weight
- 346.32
Names & synonyms
EA 68[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamateAdenosine, 5'-sulfamateC10H14N6O6S[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE9-(5-o-sulfamoylpentofuranosyl)-9h-purin-6-amineCHEMBL180019H-Purin-6-amine, 9-[5-O-(aminosulfonyl)-.beta.-D-ribofuranosyl]-SCHEMBL14201601DTXSID30947893ABA03031Adenosine, 5'-O-(aminosulfonyl)-
Show more names
5’Sulfamoyladenosine5’-O-sulfamoyl adenosineADENOSINE, 5'-SULFAMATE(8CI,9CI)
NSC133114NSC-133114[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate
Database identifiers
- CAS
25030-31-3- PubChem CID
- 280895
- DTXSID
DTXSID30947893- ChEMBL
CHEMBL18001
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 762.4 · 762.4±70.0 °C(Predicted)
- Density
- 2.24 · 2.24±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 9.15 · 9.15±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- HS Code
- 29339900 · 29339900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29339900
Chemistry & industry
Applications
Uses5’-Sulfamoyladenosine is used in studies relating to novel parasite inhibitors. In addition, it is used in the design and synthesis of β-ketosulfonamide adenylation inhibitors, as antitubercular antibiotics.
Uses5’Sulfamoyladenosine is used in studies relating to novel parasite inhibitors. In addition, it is used in the design and synthesis of β-ketosulfonamide adenylation inhibitors, as antitubercular antib iotics.
Upstream & downstream products
Upstream raw materials
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