Basic information
- CAS
25030-31-3- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O- InChIKey
GNZLUJQJDPRUTD-KQYNXXCUSA-N- Molecular formula
- C10H14N6O6S
- Average molar mass
- 346.32 g/mol
- Monoisotopic mass
- 346.06955336
Overview
structure
Names & identifiers
- Preferred name
- 5'-Sulfamoyladenosine
- IUPAC
- [(2R,3S,4R,5R)-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
25030-31-3RefChem:1008725'-Sulfamoyladenosine((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl sulfamateCHEMBL471144[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATELMSAdenosine, 5'-sulfamate5'-O-sulfamoyladenosine5'-o-sulfamoyl adenosine5''''-O-SulfamoyladenosineSCHEMBL2294870
Show more names
5’Sulfamoyladenosine5’-O-sulfamoyl adenosineADENOSINE, 5'-SULFAMATE(8CI,9CI)
9H-Purin-6-amine, 9-[5-O-(aminosulfonyl)-.beta.-D-ribofuranosyl]-SCHEMBL302080395''''-O-(Sulfamoyl)AdenosineBDBM50454088NSC804678DB02916NSC 133114NSC-804678
Database identifiers
- CAS
25030-31-3- PubChem CID
- 97576
- ChEMBL
CHEMBL471144- Nikkaji
- J1.438.388C
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
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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
Suppliers14 total
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
康迈迪森（北京）医药科技有限公司1851900025 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-55159968 18137130222 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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