Aliphatics
Octanoic-d15 acid
辛酸-d15
PHY-NP-13796 · Natural product research catalog
| Catalog number | PHY-NP-13796 |
|---|---|
| CAS number | 69974-55-6 |
| Molecular formula | C8H16O2 |
| Molecular weight | 159.306 g/mol |
| Chemical class | Aliphatics |
| Main reported source | Actaea dahurica |
| Purity / assay | Min. 98% Other purity specifications available on inquiry. |
Chemical structure
Select a pack size
| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.
Larger pack sizes available — Request a quote
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Product information
Octanoic-d15 acid is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.
For research use only. Not for human or veterinary use, diagnosis or treatment.
Names & identifiers
| IUPAC name | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoic acid |
|---|---|
| SMILES | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O |
| InChIKey | WWZKQHOCKIZLMA-PMELWRBQSA-N |
| Subclass / scaffold | 无环/长链 |
| PubChem CID | 13011402 |
Computed properties
| Exact mass (Da) | 159.2092 | Predicted LogP | 2.4315 |
|---|---|---|---|
| Predicted TPSA (Ų) | 37.3 | H-bond donors | 1 |
| H-bond acceptors | 1 | Rotatable bonds | 7 |
Calculated values from the supplied dataset; not measured batch specifications.
View additional properties & classification
| Ring count | 0 |
|---|---|
| Aromatic rings | 0 |
| Fraction Csp³ | 0.875 |
| Synthetic accessibility score | 5.27 |
| QED score | 0.619 |
| Lipinski rule violations | 0 |
| Parent SMILES | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O |
| Parent formula | C8H16O2 |
| Parent molecular weight | 159.306 |
| Specified stereocenters | 0 |
| Unspecified stereocenters | 0 |
Reported natural occurrence
| Main reported source | Actaea dahurica |
|---|
Reported natural occurrence does not establish the manufacturing origin of the supplied material.
View occurrence records & references
| LOTUS species records | 0 |
|---|---|
| LOTUS reference records | 0 |
| COCONUT occurrence records | Actaea dahurica; Actaea heracleifolia; Actaea simplex; Actinidia chinensis; Adiantum capillus-veneris; Agave decipiens; Ajania fastigiata; Akebia quinata; Akebia trifoliata; Alliaria petiolata; Alpinia latilabris; Anacardium occidentale; Angelica acutiloba; Angelica gigas; Angelica sinensis; Anthemis aciphylla; Anthemis aciphylla BOISS.var.discoidea BOISS; Arabidopsis thaliana; Arachis hypogaea; Arnica montana; Artemisia capillaris; Artemisia xerophytica; Attalea colenda; Attalea speciosa; Basella alba; Bos taurus; Brassica hirta; Brassica oleracea; Brassica rapa; Bupleurum chinense |
| COCONUT organism records | 201 |
| COCONUT identifier | CNP0295653.0 |
Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific COA available on request; no PDF published yet |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.
