Basic information
- CAS
24573-11-3- Standard SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O- InChIKey
YXIORFGPXSLCOT-FGZKHVCBSA-N- Molecular formula
- C30H56N8O17
- Average molar mass
- 800.8 g/mol
- Monoisotopic mass
- 800.37634235
Names & identifiers
- Preferred name
- Streptomycin pantothenate
- IUPAC
- 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
Names & synonyms
Streptomycin-pantothenateStreptothenateS-Pantothenat [German]STREPTOMYCIN PANTOTHENATES-PantothenatSM-PantothenatSM-Pantothenat [German]UNII-XOQ162YYFV6227-52-7EINECS 228-328-1XOQ162YYFVDTXSID50977839
Show more names
STREPTOMYCIN PANTOTHENATE [WHO-DD]RefChem:185947DTXCID701405173228-328-1D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-ALPHA-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-FORMYL-ALPHA-L-LYXOFURANOSYL-(1->4)-N,N'-BIS(AMINOIMINOMETHYL)-, COMPD. WITH (R)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE (1:1)N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine--N,N'-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine (1/1)
Database identifiers
- CAS
24573-11-3、6227-52-7- PubChem CID
- 197845
- DTXSID
DTXSID50977839- EC Number
- 228-328-1
Properties
Computed structural properties
- Topological polar surface area
- 443 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 15
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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