beta-Maltose
PubChem CID: 6255
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| Compound Synonyms | maltose, beta-maltose, 69-79-4, 133-99-3, D-Maltose, Maltobiose, D-(+)-Maltose, 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose, Cextromaltose, Finetose, Maltodiose, Sunmalt, Malt sugar, INSULIN, (ARG-INSULIN), Finetose F, Sunmalt S, 120022-04-0, R4B6462NGR, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol, Maltose, pure, CHEBI:18147, BETA-D-GLUCOPYRANOSYL(1-4)-D-GLUCOPYRANOSE, beta-D-Cellobiose, beta-D-glucopyranose, 4-O-alpha-D-glucopyranosyl-, 4-O-alpha-D-Glucopyranosyl-D-glucose, NSC-760396, 4-(alpha-D-Glucopyranosido)-alpha-glucopyranose, beta-D-Maltose, cellobiose, alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose, AI3-09089, Maltose anhydrous, Maltose HH, Maltose HHH, Advantose 100, Glca1-4Glcb, Glcalpha1-4Glcbeta, Maltose, beta-, (2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanal, Maltose beta-anomer, UNII-R4B6462NGR, Maltroise, 4-O-a-D-Glucopyranosyl-D-glucose, alpha-D-Glcp-(1->4)-beta-D-Glcp, 1wdr, Maltose (8CI), SUNMALT-S, 2f5t, .BETA.-MALTOSE, B-D-GLUCOPYRANOSE, 4-O-A-D-GLUCOPYRANOSYL-, .BETA.-D-MALTOSE, .BETA.-D-CELLOBIOSE, SCHEMBL15064, MALTOSE .BETA.-ANOMER, .beta.-D-Glucopyranose, 4-O-.alpha.-D-glucopyranosyl-, CHEMBL1908365, DTXSID901318570, HMS3264C14, Pharmakon1600-01301024, NSC760396, AKOS016008531, CCG-231520, OM06621, NCGC00389762-01, BS-10031, NS00069769, C01971, D70315, 4-O-(alpha-D-Glucopyranosyl)-beta-D-glucopyranose, alpha-D-glucopyranose-(1->4)-beta-D-glucopyranose, 857A38D2-86D7-41F1-BC3C-DADBC19CF9DC, BRD-K74377520-001-01-7, D-Glucose, 4-O-alpha-D-glucopyranosyl- (6CI,9CI), Q26914030, 4-O-?-D-Glucopyranosyl-D-glucopyranose monohydrate, Maltose monohydrate, (2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol, (2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol, (2R,3S,4S,5R,6R)-2-methylol-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol, N9S |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Np Classifier Class | Disaccharides, Polysaccharides |
| Deep Smiles | OC[C@H]O[C@@H]O)[C@@H][C@H][C@@H]6O[C@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))))O))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC(OC2CCCOC2)OC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Uniprot Id | n.a., P0DTD1 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -4.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22O11 |
| Scaffold Graph Node Bond Level | C1CCC(OC2CCCOC2)OC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUBGYTABKSRVRQ-QUYVBRFLSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -0.45 |
| Rotatable Bond Count | 4.0 |
| Logd | -3.252 |
| Synonyms | maltose |
| Esol Class | Highly soluble |
| Functional Groups | CO, CO[C@H](C)O, CO[C@H](C)OC |
| Compound Name | beta-Maltose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 342.3 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Esol | 0.5508586 |
| Inchi | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Nilotica (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Reference:ISBN:9788172362140 - 3. Outgoing r'ship
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