D-Dencichin
PubChem CID: 71440863
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| Compound Synonyms | D-Dencichin, Dencichin, D-, 58086-31-0, 1MJT82A62R, (2R)-2-amino-3-(oxaloamino)propanoic acid, 3-((Carboxycarbonyl)amino)-D-alanine, 3-((Carboxycarbonyl)amino)alanine, D-, UNII-1MJT82A62R, D-Alanine, 3-((carboxycarbonyl)amino)-, beta-N-Oxalyl-D-alpha,beta-diaminopropionic acid, (R)-2-Amino-3-(carboxyformamido)propanoic acid, Q27252614, .BETA.-N-OXALYL-D-.ALPHA.,.BETA.-DIAMINOPROPIONIC ACID |
|---|---|
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-3-(oxaloamino)propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -4.1 |
| Molecular Formula | C5H8N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NEEQFPMRODQIKX-UWTATZPHSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.248 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.982 |
| Compound Name | D-Dencichin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.043 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 176.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.9747064 |
| Inchi | InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m1/s1 |
| Smiles | C([C@H](C(=O)O)N)NC(=O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients