Molecular Weight of D-Penicillamine (C5H11NO2S)
Identification of D-Penicillamine Chemical Compound
| Chemical Formula | C5H11NO2S |
|---|---|
| Molecular Weight | 149.21134 g/mol |
| IUPAC Name | (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid |
| SMILES String | CC(C)(S)C(N)C(O)=O |
| InChI | InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1 |
| InChIKey | VVNCNSJFMMFHPL-VKHMYHEASA-N |
Molecular Weight Description
The D-Penicillamine molecule consists of 11 Hydrogen atom(s), 5 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s) - a total of 20 atom(s). The molecular weight of D-Penicillamine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 149.21134 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Additional Information for Identifying D-Penicillamine Molecule
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Structure Data File (SDF/MOL File) of D-Penicillamine
The structure data file (SDF/MOL File) of D-Penicillamine is available for download in the SDF page of D-Penicillamine, which provides the information on atoms, bonds, connectivity and coordinates of D-Penicillamine. The D-Penicillamine structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of D-Penicillamine
The molecular structure image of D-Penicillamine is available in chemical structure page of D-Penicillamine, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in D-Penicillamine and the chemical bonds that hold the atoms together.
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Chemical formula of D-Penicillamine
The molecular formula of D-Penicillamine is given in chemical formula page of D-Penicillamine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of D-Penicillamine
In addition to the molecular weight information, the structural information of D-Penicillamine in a textual expression is available via InChi. The full standard InChI of D-Penicillamine is given below:
InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
It can provide a way to encode the molecular information of D-Penicillamine to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of D-Penicillamine is:
InChIKey=VVNCNSJFMMFHPL-VKHMYHEASA-N
It may allow easier web searches for D-Penicillamine. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the D-Penicillamine as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of D-Penicillamine
There may be different names of the D-Penicillamine compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- T6647376
- Cupriminereg
- Penicillamine, United States Pharmacopeia (USP) Reference Standard
- (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid3-sulfanyl-D-valine
- Penicillamine, European Pharmacopoeia (EP) Reference Standard
- Depen;Distamine;D-Mercaptovaline;D-Penamine;Kuprenil;Cuprimine
- (2S)-2-azanyl-3-methyl-3-sulfanyl-butanoic acid;hydrochloride
- (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;hydrochloride
- (2S)-2-amino-3-mercapto-3-methylbutanoic acid;hydrochloride
- (2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydrochloride
- K-9599
- EN300-52608
- CAS-52-67-5
- RTR-032192
- BDBM50217941
- ANW-31517
- HY-B0300
- CPD-7702
- BDBM39346
- GTPL7264
- D-Penicillamine, 98-101%
- D010396
- Epitope ID:113237
- GNN1DV99GX
- Penicillamine [USAN:USP:INN:BAN:JAN]
- D-(-) penicillamine
- Depen Tab 250mg
- 3-Thio-D-valine
- 3,3-Dimethyl-D(-)-cysteine
- Atamir
- beta,beta Dimethylcysteine
- Penicillaminate, Copper
- D 3 Mercaptovaline
- 16414-54-3
- D Penicillamine
- D-(-)-2-Amino-3-mercapto-3-methylbutanoic acid
- P-1280
- D00496
- P0147
- MFCD00064302
- Distamine
- (2S)-2-amino-3-methyl-3-sulfanyl-butanoic acid
- 3-Mercaptovaline
- Metalcaptase (*Hydrochloride*)
- Penicillamine (JAN/USP/INN)
- Bio-0578
- Distamine (*Hydrochloride*)
- alpha-Amino-beta-methyl-beta-mercaptobutyric acid
- 3,3-Dimethyl-D-cysteine
- Penicillamine [USAN:INN:BAN:JAN]
- Depen (TN)
- D-beta-Mercaptovaline
- (S)-2-amino-3-mercapto-3-methylbutanoic acid
- Cuprimine (TN)
- (D)-PENICILLAMINE
- D-Penicyllamine
- H-D-Pen-OH
- Sufortan
- Penicilllamine
- Copper penicillaminate
- Valine, 3-mercapto-, D-
- Reduced D-penicillamine
- Penicillaminum [INN-Latin]
- Penicilamina [INN-Spanish]
- 3-sulfanyl-D-valine
- Penicillamina
- Reduced penicillamine
- d,3-Mercaptovaline
- (S)-Penicillamine
- (S)-Penicillamin
- Penicillamina [DCIT]
- D-Penicilamine
- beta,beta-Dimethylcysteine
- D-3-Mercaptovaline
- D-beta,beta-Dimethylcysteine
- Dimethylcysteine
- beta-Thiovaline
- Sufirtan
- Kuprenil
- Penicillaminum
- Penicilamina
- D-Valine, 3-mercapto-
- (S)-3,3-Dimethylcysteine
- D-Mercaptovaline
- Trolovol
- Perdolat
- Penicillamin
- Pendramine
- Metalcaptase
- Mercaptyl
- Depamine
- Cupripen
- Mercaptovaline
- D-Penamine
- Artamine
- (-)-Penicillamine
- Cuprenil
- 3-Mercapto-D-valine
- Depen
- D-(-)-Penicillamine
- 52-67-5
- Cuprimine
- penicillamine
- D-Penicillamine
D-Penicillamine Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of D-Penicillamine? |
|---|
| C5H11NO2S |
| How many atoms and what are the elements in the D-Penicillamine molecule? |
| 20 atom(s) - 11 Hydrogen atom(s), 5 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what types of bonds are in the D-Penicillamine structure? |
| 19 bond(s) - 8 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 primary amine(s) (aliphatic), 1 hydroxyl group(s), and 1 thiol(s) |
| What’s the molar mass of D-Penicillamine? |
| 149.21134 g/mol |
| What’s the SMILES format of D-Penicillamine? |
| CC(C)(S)C(N)C(O)=O |
| What’s the InChI format of D-Penicillamine? |
| InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1 |
| What’s the InChIKey string of D-Penicillamine? |
| VVNCNSJFMMFHPL-VKHMYHEASA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).