N-Methyl-1-Deoxynojirimycin
PubChem CID: 92381
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| Compound Synonyms | N-METHYLDEOXYNOJIRIMYCIN, 69567-10-8, N-Methylmoranoline, N-Methyl-1-deoxynojirimycin, (2r,3r,4r,5s)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol, N-Methylmoranolin, UNII-YZS8607G9Z, YZS8607G9Z, D-Glucitol, 1,5-dideoxy-1,5-(methylimino)-, NMDNJ, CHEMBL75971, N-Methyldesoxynojirimycin, MOR 14, DTXSID30875703, 1,5-Dideoxy-1,5-imino-1-methyl-D-sorbitol, 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R,5S)-, MeDNJ, N-Methyl-DNJ, Mor-14, CHEBI:166564, N-methyl moranoline, mor14, 1,5-Dideoxy-1,5-(methylimino)-D-glucitol, 9CI, MOR 14, N-Methyl-1-deoxynojirimycin, N-Methylmoranolin, SCHEMBL2435206, BDBM18353, DTXCID201476135, HY-U00090, MFCD00133609, AKOS006237428, N-Methyl-1-deoxynojirimycin, >=98%, MM04904, DA-66142, NS00011532, G12362, Q27294813, 1,5-Dideoxy-1,5-imino-1-methyl-D-sorbitol, N-Me-DNJ, (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-piperidine-3,4,5-triol, 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, [2R-(2a,3b,4a,5b)]-, N-Methylmoranoline3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, [2R-(2a,3b,4a,5b)]- |
|---|---|
| Topological Polar Surface Area | 84.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | O43451, P23739, O70282, Q02401, P28494, P21139, Q6P762, P10253, P70699 |
| Iupac Name | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol |
| Prediction Hob | 1.0 |
| Target Id | NPT497, NPT60 |
| Xlogp | -1.9 |
| Molecular Formula | C7H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AAKDPDFZMNYDLR-XZBKPIIZSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.075 |
| Rotatable Bond Count | 1.0 |
| Logd | -2.072 |
| Compound Name | N-Methyl-1-Deoxynojirimycin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 177.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.31176 |
| Inchi | InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1 |
| Smiles | CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all