D-Mannose
PubChem CID: 18950
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| Compound Synonyms | D-mannose, mannose, D-Mannopyranose, mannopyranose, mannopyranoside, d-mannopyranoside, D-Man, MAN, Carubinose, Seminose, 530-26-7, D-(+)-Mannose, (+)-Mannose, CHEBI:4208, (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol, D(+)-Mannose, D-Mannose 1000 microg/mL in Methanol, AI3-18442, MFCD00064122, (+-)-Mannose, SMR000857125, 2h-pyran-2,3,4,5-tetraol, manno-hexose, D-Mannose,(S), alpha,beta-D-mannopyranose, bmse000018, bmse000874, bmse000882, Epitope ID:152206, SCHEMBL38300, MLS001332527, MLS001332528, CHEMBL469448, GTPL4650, DTXCID3020463, CHEBI:16024, CHEBI:37684, DTXSID501337491, HMS2236J04, BDBM50448403, s5763, AKOS025212856, D-(+)-Mannose, synthetic, >=99%, DS-3390, HY-W177335, D-(+)-Mannose, from wood, >=99%, NCGC00166108-01, 46032-76-2, AC-11148, D-(+)-Mannose, for microbiology, >=99%, CS-0238447, M0045, EN300-19556, (3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydro-, C00159, SBI-0633453.0002, Q335208, D50D2EC9-C1E4-4213-AFF7-F9C678AC92C5, Z104474216, (3S,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol, D-(+)-Mannose, powder, BioReagent, suitable for cell culture, Mannose, United States Pharmacopeia (USP) Reference Standard, (3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol, (3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol, D-(+)-Mannose, BioUltra, >=99.5% (sum of enantiomers, HPLC), (3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol, D-(+)-Mannose, for microbiology, >=99.0% (sum of enantiomers, HPLC), 208-474-2, 222-392-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Disaccharides, Flavones, Monosaccharides, Polysaccharides |
| Deep Smiles | OC[C@H]OCO)[C@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P21139, P10323, Q8KHJ3, P53624, P83916, Q9UBT6, P11308, Q8WTT0, Q6EIG7, Q9UJ71, P35247, P22897, Q9H2X3, Q9NNX6, P11226, P08191, B4EH87, Q9HYN5, Q8N539 |
| Iupac Name | (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Target Id | NPT5646 |
| Xlogp | -2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O6 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WQZGKKKJIJFFOK-QTVWNMPRSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -0.065 |
| Rotatable Bond Count | 1.0 |
| Logd | -2.277 |
| Synonyms | mannose |
| Esol Class | Highly soluble |
| Functional Groups | CC(O)OC, CO |
| Compound Name | D-Mannose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 180.16 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | 1.1502328000000006 |
| Inchi | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Carbohydrates, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides, Flavonoids |
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