≥98 atom% D,≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Penicillin V-d5 is a labeled antibacterial agent.
| Pubchem Sid | 528776413 |
|---|---|
| Canonical Smiles | CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C |
| IUPAC Name | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(2,3,4,5,6-pentadeuteriophenoxy)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| InChIKey | BPLBGHOLXOTWMN-DHJOJNDJSA-N |
| INCHI | 1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1/i3D,4D,5D,6D,7D |
| Isomeric SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])OCC(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O)[2H])[2H] |
| Alternate CAS | 87-08-1(unlabelled) |
| PubChem CID | 45040190 |
| Molecular Weight | 355.42 |
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 | Organoheterocyclic compounds |
| Class | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Penams |
| Direct Parent | Penicillins |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Thiazolidines Tertiary carboxylic acid amides Amino acids Azetidines Tertiary amines Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1]. |
| 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 |
|---|---|---|---|
 E2509514 | Certificate of Analysis | Apr 21, 2025 | P334364 |
| E2509515 | Certificate of Analysis | Apr 21, 2025 | P334364 |
| G2405572 | Certificate of Analysis | Jun 28, 2024 | P334364 |
| G2405573 | Certificate of Analysis | Jun 28, 2024 | P334364 |
| F2325768 | Certificate of Analysis | Jun 03, 2023 | P334364 |
| F2325785 | Certificate of Analysis | Jun 03, 2023 | P334364 |
| Solubility | Soluble in Methanol, Water and DMSO |
|---|---|
| Melt Point(°C) | 118-121° C (dec.) |
| Molecular Weight | 355.400 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 355.125 Da |
| Monoisotopic Mass | 355.125 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 547.000 |
| Isotope Atom Count | 5 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
