Account 5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-Amino-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl hydrogen sulfate
- Catalog No. :
- ACLDNU127
- CAS No. :
- 168110-44-9
- Molecular Formula :
- C35H52N8O20S
- Molecular Weight :
- 936.90
IUPAC Name:5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl hydrogen sulfate
![5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-Amino-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl hydrogen sulfate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-Amino-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl hydrogen sulfate |
|---|---|
| IUPAC Name | 5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl hydrogen sulfate |
| MDL No. | MFCD30478434 |
| Molecular Formula | C35H52N8O20S |
| Molecular Weight | 936.90 |
| SMILES | O=C([C@]([C@H](O)CC(N)=O)(NC([C@@H](NC([C@@]1(C[C@@H](O)CN1C2=O)[H])=O)[C@H](O)[C@H](C3=CC(OS(=O)(O)=O)=C(O)C=C3)O)=O)[H])N4[C@@]([C@@H](O)[C@@H](C)C4)(C(N[C@@H]([C@@H](C[C@@H](C(N[C@H]2[C@H](O)C)=O)N)O)O)=O)[H] |
| InChI Key | QCYMOOBOFFUBHZ-CPYYHODSSA-N |
| Synonym | FR179642 | FR-179642 | UNII-44677O2TDO | CS-0103490 | AKOS030524387 | Micafungin FR-179642 impurity | QCYMOOBOFFUBHZ-CPYYHODSSA-N | 44677O2TDO | EX-A2749 | [5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxop |
| CAS No. | 168110-44-9 |
| PubChem CID | 71714631 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H361
- Precautionary Statement(s)
- P201-P202-P308+P313-P405-P501
Synthetic Route by SureRoute
2. ACLDNU127 Molecular Building Block Synthetic Route
5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-palmitamidotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl hydrogen sulfate
(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexaone
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