INO-4995 (CHEM135117)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 21:45:04 UTC | ||||||||
| Update Date | 2026-05-14 20:05:06 UTC | ||||||||
| Accession Number | CHEM135117 | ||||||||
| Identification | |||||||||
| Common Name | INO-4995 | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C50H86O35P4 | ||||||||
| Average Molecular Mass | 1371.098 g/mol | ||||||||
| Monoisotopic Mass | 1370.390 g/mol | ||||||||
| CAS Registry Number | 868171-91-9 | ||||||||
| IUPAC Name | (1S,2S,3R,4R,5S,6R)-2,3,4,5-tetrakis({bis[(propanoyloxy)methoxy]phosphoryl}oxy)-6-(octyloxy)cyclohexyl butanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCO[C@@H]1[C@H](OC(=O)CCC)[C@H](OP(=O)(OCOC(=O)CC)OCOC(=O)CC)[C@@H](OP(=O)(OCOC(=O)CC)OCOC(=O)CC)[C@H](OP(=O)(OCOC(=O)CC)OCOC(=O)CC)[C@H]1OP(=O)(OCOC(=O)CC)OCOC(=O)CC | ||||||||
| InChI Identifier | InChI=1S/C50H86O35P4/c1-11-21-22-23-24-25-27-64-45-46(81-44(59)26-12-2)48(83-87(61,75-30-67-38(53)15-5)76-31-68-39(54)16-6)50(85-89(63,79-34-71-42(57)19-9)80-35-72-43(58)20-10)49(84-88(62,77-32-69-40(55)17-7)78-33-70-41(56)18-8)47(45)82-86(60,73-28-65-36(51)13-3)74-29-66-37(52)14-4/h45-50H,11-35H2,1-10H3/t45-,46+,47+,48+,49-,50-/m1/s1 | ||||||||
| InChI Key | SVJGGWZOTSJMCQ-RMTIMQEASA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
