Determine the necessary mass, volume, or concentration for preparing a solution.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488200967 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488200967 |
| Canonical Smiles | C1C(C(OC1N)COP(=O)(O)OC2CC(OC2COP(=O)(O)OC3CC(OC3CO)N)N)O |
| IUPAC Name | [5-amino-2-[[[5-amino-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] (5-amino-3-hydroxyoxolan-2-yl)methyl hydrogen phosphate |
| InChIKey | AWBASQCACWFTGD-UHFFFAOYSA-N |
| INCHI | 1S/C15H31N3O13P2/c16-13-1-7(20)11(28-13)5-25-32(21,22)31-9-3-15(18)29-12(9)6-26-33(23,24)30-8-2-14(17)27-10(8)4-19/h7-15,19-20H,1-6,16-18H2,(H,21,22)(H,23,24) |
| Isomeric SMILES | C1C(C(OC1N)COP(=O)(O)OC2CC(OC2COP(=O)(O)OC3CC(OC3CO)N)N)O |
| RTECS | HG1933000 |
| PubChem CID | 44135672 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Monosaccharides - Pentoses |
| Direct Parent | Pentose phosphates |
| Alternative Parents | Monosaccharide phosphates Dialkyl phosphates Oxolanes Secondary alcohols Hemiaminals Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pentose phosphate - Monosaccharide phosphate - Dialkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Oxolane - Secondary alcohol - Hemiaminal - Oxacycle - Organoheterocyclic compound - Alcohol - Primary alcohol - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 20, 2026 | D404592 | |
| Certificate of Analysis | Jan 10, 2026 | D404592 | |
| Certificate of Analysis | Jan 10, 2026 | D404592 | |
| Certificate of Analysis | Jul 10, 2025 | D404592 | |
| Certificate of Analysis | Dec 27, 2023 | D404592 | |
| Certificate of Analysis | Dec 27, 2023 | D404592 | |
| Certificate of Analysis | Aug 31, 2022 | D404592 | |
| Certificate of Analysis | Aug 31, 2022 | D404592 |
| Molecular Weight | 523.370 g/mol |
|---|---|
| XLogP3 | -10.200 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 11 |
| Exact Mass | 523.133 Da |
| Monoisotopic Mass | 523.133 Da |
| Topological Polar Surface Area | 258.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 750.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Lingjie Meng, Chengqiang Xu, Tianhui Liu, Hua Li, Qinghua Lu, Jiangang Long. (2015) One-pot synthesis of highly cross-linked fluorescent polyphosphazene nanoparticles for cell imaging. Polymer Chemistry, 6 (16): (3155-3163). [PMID:] [10.1039/C5PY00196J] |
| 2. Fusheng Luo, Xin Qi, Qing Wu, Jinlong Zhang, Song Yang, Xiude Liu, Zeyu Yan, Jun Huang. (2025) Molecular recognition interfaces driving homogeneous zinc deposition for superior Zn metal anode. GREEN CHEMISTRY, [PMID:] [10.1039/D5GC02826D] |
| 3. Xin Mao, Bin Liu, Liu Yang, Nan Li, Guangchao Li, Pengwei Yan. (2025) Promoting effect of Far-UVC on the oxidation of diatrizoic acid in secondary effluent by heterogeneous MoS2/peroxymonosulfate catalysis. Journal of Environmental Chemical Engineering, [PMID:] [10.1016/j.jece.2025.119602] |