[3-Hydroxy-10-(hydroxymethyl)-4',4',5',16-tetramethyl-3',9,15-trioxospiro[11,12,13,14-tetrathia-8,16-diazatetracyclo[8.4.2.01,8.03,7]hexadecane-5,2'-oxolane]-4-yl] acetate
Basic information
- CAS
129029-27-2- Standard SMILES
CC(=O)OC1C2(CC3N4C(=O)C5(CO)SSSSC4(CC31O)C(=O)N5C)OC(C)C(C)(C)C2=O- InChIKey
HRTWROLCNILHTD-UHFFFAOYSA-N- Molecular formula
- C20H26N2O8S4
- Average molar mass
- 550.7 g/mol
- Monoisotopic mass
- 550.05720049
Names & identifiers
- Preferred name
- [3-Hydroxy-10-(hydroxymethyl)-4',4',5',16-tetramethyl-3',9,15-trioxospiro[11,12,13,14-tetrathia-8,16-diazatetracyclo[8.4.2.01,8.03,7]hexadecane-5,2'-oxolane]-4-yl] acetate
- IUPAC
- [3-hydroxy-10-(hydroxymethyl)-4',4',5',16-tetramethyl-3',9,15-trioxospiro[11,12,13,14-tetrathia-8,16-diazatetracyclo[8.4.2.01,8.03,7]hexadecane-5,2'-oxolane]-4-yl] acetate
Names & synonyms
129029-27-2DTXSID7092628310a-Hydroxy-5-(hydroxymethyl)-4',4',5',13-tetramethyl-3',6,12-trioxohexahydro-10H-spiro[5,11a-(epiminomethano)cyclopenta[4,5]pyrrolo[2,1-e][1,2,3,4,6]tetrathiazocine-9,2'-oxolan]-10-yl acetate
Database identifiers
- CAS
129029-27-2- PubChem CID
- 180477
- DTXSID
DTXSID70926283
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,010
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Related reactions
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Compound notes
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