D-cystine zwitterion
PubChem CID: 6991967
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| Compound Synonyms | D-cystine zwitterion, CHEBI:145813, (2S,2'S)-3,3'-dithiobis(2-ammoniopropanoate), (2S,2'S)-3,3'-disulfanediylbis(2-ammoniopropanoate) |
|---|---|
| Topological Polar Surface Area | 186.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-azaniumyl-3-[[(2S)-2-azaniumyl-2-carboxylatoethyl]disulfanyl]propanoate |
| Prediction Hob | 1.0 |
| Xlogp | -5.0 |
| Molecular Formula | C6H12N2O4S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LEVWYRKDKASIDU-QWWZWVQMSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.891 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.329 |
| Compound Name | D-cystine zwitterion |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.024 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.024 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 240.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.3325028000000003 |
| Inchi | InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1 |
| Smiles | C([C@H](C(=O)[O-])[NH3+])SSC[C@H](C(=O)[O-])[NH3+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients