[5-(6-amino-2-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
AlkaPlorer ID: AK145093
Synonym: None
IUPAC Name: [(2R,3S,4R,5R)-5-(6-amino-2-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
Structure
SMILES: NC1=NC(Br)=NC2=C1N=CN2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C10H13BrN6O6S/c11-10-15-7(12)4-8(16-10)17(2-14-4)9-6(19)5(18)3(23-9)1-22-24(13,20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,15,16)(H2,13,20,21)/t3-,5-,6-,9-/m1/s1
InChIKey: VPWOATHUXGHCPI-UUOKFMHZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Pseudoceratina purpurea | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Streptomyces calvus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 425.2210000000002
TPSA？: 188.7
MolLogP？: -1.9896999999999987
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 0.2 | ug.mL-1 | 10.1021/np501015m |