| Record Information |
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| Version | 4.0 |
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| Status | Expected but not Quantified |
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| Creation Date | 2006-08-12 23:20:00 UTC |
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| Update Date | 2020-02-26 21:24:40 UTC |
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| HMDB ID | HMDB0003536 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | dIDP |
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| Description | dIDP belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside diphosphates. These are purine nucleotides with diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. dIDP is a moderately basic compound (based on its pKa). The coating on furnishings, cookware, pharmaceutical pills, food wrappers and many other products may have DIDP or other phthalates in them. Diisodecyl phthalate (DIDP) is a commonly used plasticizer used in the production of plastic and plastic coating to increase flexibility. dIDP exists in all living organisms, ranging from bacteria to humans. DIDP has been listed since 2007 under Proposition 65 as a substance known to the state of California to cause reproductive toxicity. The similar compound DINP is also listed. There has been recent concern in the USA and European Union for their toxicity and bioaccumulative quality. The European Union has set a maximum specific migration limit from food contact materials of 9 mg/kg food for the sum of diisodecyl phthalates and diisononyl phthalates. It is a mixture of compounds derived from the esterification of phthalic acid and isomeric decyl alcohols. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2'-Deoxyinosine 5'-diphosphate | ChEBI | | 2'-Deoxyinosine-5'-diphosphate | Kegg | | 2'-Deoxyinosine 5'-diphosphoric acid | Generator | | 2'-Deoxyinosine-5'-diphosphoric acid | Generator | | DIDP | ChEBI |
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| Chemical Formula | C10H14N4O10P2 |
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| Average Molecular Weight | 412.1865 |
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| Monoisotopic Molecular Weight | 412.018515712 |
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| IUPAC Name | {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid |
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| Traditional Name | 2'-deoxyinosine |
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| CAS Registry Number | 26575-15-5 |
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| SMILES | O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O |
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| InChI Identifier | InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 |
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| InChI Key | BKUSIKGSPSFQAC-RRKCRQDMSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside diphosphates. These are purine nucleotides with diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. |
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| Kingdom | Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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| Class | Purine nucleotides |
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| Sub Class | Purine deoxyribonucleotides |
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| Direct Parent | Purine 2'-deoxyribonucleoside diphosphates |
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| Alternative Parents | |
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| Substituents | - Purine 2'-deoxyribonucleoside diphosphate
- 6-oxopurine
- Hypoxanthine
- Organic pyrophosphate
- Imidazopyrimidine
- Purine
- Pyrimidone
- Monoalkyl phosphate
- N-substituted imidazole
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Pyrimidine
- Alkyl phosphate
- Azole
- Heteroaromatic compound
- Vinylogous amide
- Tetrahydrofuran
- Imidazole
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Azacycle
- Hydrocarbon derivative
- Alcohol
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxide
- Organonitrogen compound
- Organic oxygen compound
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Disposition | Biological location: Source: |
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| Physical Properties |
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| State | Liquid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | -45.6 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 0.00028 mg/mL at 25 °C | Not Available | | LogP | 9.444 | Not Available |
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| Predicted Properties | |
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| | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-002g-6912000000-07b57ba4fa4eb196ef35 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-004m-7912200000-68086875341dd8490f7f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0901000000-c25470a2b6dd89f05ad9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0900000000-3d9499d9e41944d634b9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-1900000000-525473dc438b57d3a43d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0604900000-ed1ddaa7f42a929a87c7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004r-6900000000-30a416b7228b3caa2d1b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9100000000-2f4d7cdfeca6c7bfc50c | Spectrum |
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