Glucamine
PubChem CID: 452501
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| Compound Synonyms | D-Glucamine, 488-43-7, GLUCAMINE, 1-Amino-1-deoxy-D-glucitol, (2R,3R,4R,5S)-6-Aminohexane-1,2,3,4,5-pentaol, 1-Amino-1-deoxy-D-sorbitol, 1-Amino-1-deoxysorbitol, 1-amino-1-deoxyglucitol, (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol, D-Glucamine (>75%), Glycamine, GLUCAMINE [MI], EINECS 207-677-3, 5QN16UUF80, EC 207-677-3, DTXSID901032334, D-Glucitol, 1-amino-1-deoxy-, UNII-5QN16UUF80, D-glucamin, D-Glucoamine, MFCD00077776, 1-amino-desoxysorbitol, D-Glucamine, 98%, GLUCAMINE [INCI], 1-amino-1-deoxy-glucitol, SCHEMBL2361, 1-Amino-1-deoxy-glucosamine, D-Glucamine (>75per cent), 1-amino-1-desoxy-D-glucitol, SDOFMBGMRVAJNF-SLPGGIOYSA-, CHEBI:231253, DTXCID101517338, 1-Amino-1-deoxy-D-sorbitol, 98%, AKOS016010317, HY-W016445, MG06629, G0252, NS00100246, D90737, Q27262753, 1-Amino-1-deoxy-D-glucitol, 1-Amino-1-deoxy-L-sorbitol, Glycamine, 207-677-3, InChI=1/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4+,5+,6+/m0/s1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminosugars |
| Deep Smiles | NC[C@@H][C@H][C@@H][C@@H]CO))O))O))O))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H15NO5 |
| Inchi Key | SDOFMBGMRVAJNF-SLPGGIOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | glucamine |
| Esol Class | Highly soluble |
| Functional Groups | CN, CO |
| Compound Name | Glucamine |
| Exact Mass | 181.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 181.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 181.19 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4+,5+,6+/m0/s1 |
| Smiles | C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)N |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Aminosugars and aminoglycosides |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Hybridum (Plant) Rel Props:Reference:ISBN:9780387706375