Basic information
- CAS
92953-54-3- Standard SMILES
CC(=O)NC1C(OC2CC(C(=O)NCCS(=O)(=O)O)NC2CO)OC(CO)C(OS(=O)(=O)O)C1O- InChIKey
RPNZWZDLNYCCIG-UHFFFAOYSA-N- Molecular formula
- C16H29N3O14S2
- Average molar mass
- 551.5 g/mol
- Monoisotopic mass
- 551.10909495
Overview
Bulgecin a has been reported in Pseudomonas and Pseudomonas acidophila with data available.
Names & identifiers
- Preferred name
- Bulgecin A
- IUPAC
- 2-[[4-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]ethanesulfonic acid
- English name
- bulgecin A
- Molecular formula
- C16H29N3O14S2
- Molecular weight
- 551.54
Names & synonyms
bulgecin a92953-54-3DTXSID90869108DMF8MD9MYERefChem:917705DTXCID502082512-[[4-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]ethanesulfonic acidorb1741165CID 2470T683152-({4-[(2-Acetamido-2-deoxy-4-O-sulfohexopyranosyl)oxy]-5-(hydroxymethyl)prolyl}amino)ethane-1-sulfonic acidEthanesulfonic acid,2-[[4-O-[2-(acetylamino)-2-deoxy-4-O-sulfo-b-D-glucopyranosyl]-2,3,5-trideoxy-2,5-imino-D-arabino-hexonoyl]amino]-(9CI)
Show more names
Ethanesulfonic acid, 2-[[4-O-[2-(acetylamino)-2-deoxy-4-O-sulfo-β-D-glucopyranosyl]-2,3,5-trideoxy-2,5-imino-D-arabino-hexonoyl]amino]- (9CI)
Database identifiers
- CAS
92953-54-3- PubChem CID
Properties
Computed structural properties
- XLogP
- -7.9
- Topological polar surface area
- 284 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 950
Physicochemical properties
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- pka
- -3 · -3+-.0.18(Predicted)
Chemistry & industry
Applications
DescriptionBulgecin A is an inhibitor of binuclear metallo-beta-lactamases and Lytic transglycosolase.
Suppliers4 total
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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