| Record Information |
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| Version | 2.0 |
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| Created at | 2025-05-10 09:48:14 UTC |
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| Updated at | 2025-07-30 22:44:02 UTC |
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| NP-MRD ID | NP0351010 |
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| Natural Product DOI | https://doi.org/10.57994/3997 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 5-Arabinofuranosyl-arabinofuranosyl-hydroxy-dC |
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| Description | Based on a literature review very few articles have been published on 5-Arabinofuranosyl-arabinofuranosyl-hydroxy-dC. |
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| Structure | [H][C@]1(O)[C@H](O)[C@@H](CO)OC1OC[C@H]1O[C@]([H])(OC2=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N=C2N)[C@@]([H])(O)[C@@H]1O InChI=1S/C19H29N3O13/c20-16-7(2-22(19(30)21-16)11-1-6(25)8(3-23)32-11)33-18-15(29)13(27)10(35-18)5-31-17-14(28)12(26)9(4-24)34-17/h2,6,8-15,17-18,23-29H,1,3-5H2,(H2,20,21,30)/t6-,8+,9+,10+,11+,12+,13+,14-,15-,17?,18-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C19H29N3O13 |
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| Average Mass | 507.4490 Da |
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| Monoisotopic Mass | 507.17004 Da |
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| IUPAC Name | 4-amino-5-{[(2R,3S,4S,5R)-5-({[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one |
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| Traditional Name | 4-amino-5-{[(2R,3S,4S,5R)-5-({[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]1(O)[C@H](O)[C@@H](CO)OC1OC[C@H]1O[C@]([H])(OC2=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N=C2N)[C@@]([H])(O)[C@@H]1O |
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| InChI Identifier | InChI=1S/C19H29N3O13/c20-16-7(2-22(19(30)21-16)11-1-6(25)8(3-23)32-11)33-18-15(29)13(27)10(35-18)5-31-17-14(28)12(26)9(4-24)34-17/h2,6,8-15,17-18,23-29H,1,3-5H2,(H2,20,21,30)/t6-,8+,9+,10+,11+,12+,13+,14-,15-,17?,18-/m0/s1 |
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| InChI Key | XMNUMQIZXBDAOO-RVWFDKGSSA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | seetharamsing.b@ntu.edu.sg | Nanyang Technological University | Balamkundu Seetharamsing | 2025-05-10 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | seetharamsing.b@ntu.edu.sg | Nanyang Technological University | Balamkundu Seetharamsing | 2025-05-10 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | seetharamsing.b@ntu.edu.sg | Nanyang Technological University | Balamkundu Seetharamsing | 2025-05-10 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | seetharamsing.b@ntu.edu.sg | Nanyang Technological University | Balamkundu Seetharamsing | 2025-05-10 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | seetharamsing.b@ntu.edu.sg | Nanyang Technological University | Balamkundu Seetharamsing | 2025-05-10 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Mosigvirus Mosigvirus phapec2 | | |
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| Chemical Taxonomy |
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| Classification | Not classified |
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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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