Alpha-Lactose
PubChem CID: 84571
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| Compound Synonyms | alpha-lactose, 14641-93-1, a-Lactose, Anhydrous lactose, alpha-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-, alpha lactose, alpha-D-lactose, MJF4JAT10B, 4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranose, .ALPHA.-LACTOSE, EINECS 238-691-8, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol, (2S,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol, Aletobiose, Lactobiose, CHEBI:36219, DTXSID50873004, alpha-D-Lactose monohydrate, 1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose, beta-D-Gal-(1->4)-alpha-D-Glc, beta-D-Galp-(1->4)-alpha-D-Glcp, beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose, .alpha.-D-Glucopyranose, 4-O-.beta.-D-galactopyranosyl-, Galactinum, Osmolactan, Tablettose, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol, Lactin, Saccharum lactin, Super-Tab, Zeparox EP, Fast-flo Lactose, Lactose Fast-flo, Pharmatose 21, Tablettose 70, Tablettose 80, Dilactose, Pharmatose 325M, Sorbalac 400, O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-.ALPHA.-D-GLUCOPYRANOSE, Flowlac 100, Pharmatosa DCL 21, Lactin (carbohydrate), (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol, NSC-760401, UNII-MJF4JAT10B, Prismalac, Sachelac, Spherolac, GLC-(4-1)GAL, Lactose anhydride, a-D-lactose, 4ouj, WURCS=2.0/2,2,1/(a2122h-1a_1-5)(a2112h-1b_1-5)/1-2/a4-b1, WURCS=2.0/2,2,1/[a2122h-1a_1-5][a2112h-1b_1-5]/1-2/a4-b1, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy)oxane-3,4,5-triol, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-((2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol, Lactohale 300, Lactose, -, 6-Deoxy-D-lactose, Granulac 140M, Sorbolac 400, 4-O-beta-D-galactopyranosyl-D-glucopyranose, Pharmatose DCL 15, Respitose ML 003, Respitose SV 003, alpha-4-(beta-D-Galactosido)-D-glucose, 2y9g, 3ap4, 3i8t, 4-O-Hexopyranosylhexose, hygroscopic alpha-lactose, bmse000065, bmse000813, bmse000938, DTXCID30820516, Pharmakon1600-01301020, HY-N2514, MFCD00191455, NSC760401, AKOS015900418, MD76590, AS-66473, CS-0022785, L0008, NS00085890, EN300-1655902, Q27104342, 1-beta-delta-Galactopyranosyl-4-alpha-delta-glucopyranose, O-BETA-D-GALACTOPYRANOSYL-(1->4)-ALPHA-D-GLUCOPYRANOSE, 4-O--D-Galactopyranosyl--D-glucopyranose, -D-Lactose, -Lactose, 4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranose, 98%, Dnase free and Rnase free, (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2,3,4-triol, 52689-62-0 |
|---|---|
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 23.0 |
| Description | Alpha-pyranose form of the compound lactose [CCD] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Uniprot Id | P09848, O60909, P00709, P15291, P16278, Q9NZD2 |
| Iupac Name | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Xlogp | -4.7 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUBGYTABKSRVRQ-XLOQQCSPSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.409 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | -2.946 |
| Synonyms | 1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose, alpha-Lactose, beta-D-Galactopyranosyl-(1->4)-alpha-D-glucopyranose, beta-D-Galactopyranosyl-(1->4)-alpha-D-glucose, 4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranose, Anhydrous lactose, beta-D-Galp-(1->4)-alpha-D-GLCP, Lactose, Milk sugar, 1-b-D-Galactopyranosyl-4-a-D-glucopyranose, 1-Β-D-galactopyranosyl-4-α-D-glucopyranose, 4-O-b-D-Galactopyranosyl-a-D-glucopyranose, 4-O-Β-D-galactopyranosyl-α-D-glucopyranose, b-D-Galp-(1->4)-a-D-GLCP, Β-D-galp-(1->4)-α-D-GLCP, a-Lactose, Α-lactose, (+)-Lactose, 1-beta-delta-Galactopyranosyl-4-alpha-delta-glucopyranose, 4-O-Hexopyranosylhexose, Aletobiose, Dilactose, Fast-flo lactose, Flowlac 100, Galactinum, GLC-(4-1)Gal, Granulac 140m, Lactin, Lactin (carbohydrate), Lactobiose, Lactohale 300, Lactose anhydride, Lactose fast-flo, Osmolactan, Pharmatosa DCL 21, Pharmatose 21, Pharmatose 325m, Pharmatose DCL 15, Prismalac, Respitose ML 003, Respitose SV 003, Saccharum lactin, Sachelac, Sorbalac 400, Sorbolac 400, Spherolac, Super-tab, Tablettose, Tablettose 70, Tablettose 80, Zeparox ep, Lactose, anhydrous |
| Compound Name | Alpha-Lactose |
| Kingdom | Organic compounds |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients