| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-06 09:54:54 UTC |
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| Updated at | 2022-09-06 09:54:54 UTC |
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| NP-MRD ID | NP0229728 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (2s,3r,4s,5s,6r)-4-amino-2-{[(5s,6r,9r,13r)-9,13-diethyl-14-hydroxy-5-methyl-1-azacyclotetradec-1(14)-en-6-yl]oxy}-6-methyloxane-3,5-diol |
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| Description | (2S,3R,4S,5S,6R)-4-amino-2-{[(5S,6R,9R,13R)-9,13-diethyl-14-hydroxy-5-methyl-1-azacyclotetradec-1(14)-en-6-yl]oxy}-6-methyloxane-3,5-diol belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. Based on a literature review very few articles have been published on (2S,3R,4S,5S,6R)-4-amino-2-{[(5S,6R,9R,13R)-9,13-diethyl-14-hydroxy-5-methyl-1-azacyclotetradec-1(14)-en-6-yl]oxy}-6-methyloxane-3,5-diol. |
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| Structure | CC[C@@H]1CCC[C@@H](CC)C(O)=NCCC[C@H](C)[C@@H](CC1)O[C@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@H]1O InChI=1S/C24H46N2O5/c1-5-17-10-7-11-18(6-2)23(29)26-14-8-9-15(3)19(13-12-17)31-24-22(28)20(25)21(27)16(4)30-24/h15-22,24,27-28H,5-14,25H2,1-4H3,(H,26,29)/t15-,16+,17+,18+,19+,20-,21+,22+,24+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C24H46N2O5 |
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| Average Mass | 442.6410 Da |
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| Monoisotopic Mass | 442.34067 Da |
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| IUPAC Name | (2S,3R,4S,5S,6R)-4-amino-2-{[(5S,6R,9R,13R)-9,13-diethyl-14-hydroxy-5-methyl-1-azacyclotetradec-1(14)-en-6-yl]oxy}-6-methyloxane-3,5-diol |
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| Traditional Name | (2S,3R,4S,5S,6R)-4-amino-2-{[(5S,6R,9R,13R)-9,13-diethyl-14-hydroxy-5-methyl-1-azacyclotetradec-1(14)-en-6-yl]oxy}-6-methyloxane-3,5-diol |
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| CAS Registry Number | Not Available |
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| SMILES | CC[C@@H]1CCC[C@@H](CC)C(O)=NCCC[C@H](C)[C@@H](CC1)O[C@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@H]1O |
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| InChI Identifier | InChI=1S/C24H46N2O5/c1-5-17-10-7-11-18(6-2)23(29)26-14-8-9-15(3)19(13-12-17)31-24-22(28)20(25)21(27)16(4)30-24/h15-22,24,27-28H,5-14,25H2,1-4H3,(H,26,29)/t15-,16+,17+,18+,19+,20-,21+,22+,24+/m0/s1 |
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| InChI Key | MFKZSQBNSVJMEC-ZSIDGWOUSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Aminoglycosides |
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| Alternative Parents | |
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| Substituents | - Aminoglycoside core
- Hexose monosaccharide
- O-glycosyl compound
- Glycosyl compound
- Oxane
- Monosaccharide
- Cyclic carboximidic acid
- Secondary alcohol
- 1,2-aminoalcohol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Acetal
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Organonitrogen compound
- Primary aliphatic amine
- Amine
- Alcohol
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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