D-Allosamine
PubChem CID: 6915732
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| Compound Synonyms | D-Allosamine, Allosamine, 2-Amino-2-Deoxy-D-Allopyranose, D-AllN, ALLN, 2-Amino-2-Deoxy-Allose, 2-Deoxy-2-Amino-Allose, 2-amino-2-deoxy-d-allose, 2-deoxy-2-amino-d-allose, 2-Amino-2-Deoxy-Allopyranose, 2-Deoxy-2-Amino-Allopyranose, 2-Amino-2-Deoxy-Allopyranoside, 2-Deoxy-2-Amino-Allopyranoside, 2-Deoxy-2-Amino-D-Allopyranose, 2-Amino-2-Deoxy-D-Allopyranoside, 2-Deoxy-2-Amino-D-Allopyranoside, SCHEMBL13985995, C21038 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.8 |
| Is Pains | False |
| Molecular Formula | C6H13NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MSWZFWKMSRAUBD-RSVSWTKNSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Compound Name | D-Allosamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 179.079 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 179.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 179.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3201336000000004 |
| Inchi | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5+,6?/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)N)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients