Isomaltotriose
PubChem CID: 5460037
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| Compound Synonyms | Isomaltotri-itol, L3L3XYP7MP, CHEBI:27649, DTXSID701317190, 6-.ALPHA.-ISOMALTOSYLGLUCOSE, O-alpha-D-Glucopyranosyl-(1-->6)-O-alpha-D-glucopyranosyl-(1-->6)-D-glucose, Dextran 40, D-GLUCOSE, O-.ALPHA.-D-GLUCOPYRANOSYL-(1->6)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->6)-, (2R,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-(((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-((((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY)METHYL)OXAN-2-YL)OXY)HEXANAL, O-alpha-D-Glucopyranosyl-(1.6)-O-alpha-D-glucopyranosyl-(1.6)-D-glucose, dextranhydride, EINECS 222-149-2, WURCS=2.0/2,3,2/(a2122h-1x_1-5)(a2122h-1a_1-5)/1-2-2/a6-b1_b6-c1, WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2/a6-b1_b6-c1, (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal, LMWD, Isomaltotriose (Standard), SCHEMBL206877, HY-N0913AR, CHEMBL1697742, HY-N0913A, 6-ALPHA-ISOMALTOSYLGLUCOSE, DTXCID801747011, AKOS040744269, CS-0109495, BRD-K67117832-001-01-9, D-GLUCOSE, O-ALPHA-D-GLUCOPYRANOSYL-(1->6)-O-ALPHA-D-GLUCOPYRANOSYL-(1->6)- |
|---|---|
| Topological Polar Surface Area | 277.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 34.0 |
| Description | Indirect food additive produced by bacterial fermentation of sucrose Dextran is a complex, branched glucan (polysaccharide made of many glucose molecules) composed of chains of varying lengths (from 10 to 150 kilodaltons). It is used medicinally as an antithrombotic (anti-platelet), to reduce blood viscosity, and as a volume expander in anemia. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 625.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 14.0 |
| Iupac Name | (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | -7.2 |
| Is Pains | False |
| Molecular Formula | C18H32O16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZWBNHMXJMCXLU-BLAUPYHCSA-N |
| Fcsp3 | 0.9444444444444444 |
| Rotatable Bond Count | 11.0 |
| Synonyms | (1,6-alpha-D-Glucosyl)m, (1,6-alpha-D-Glucosyl)m+1, (1,6-alpha-D-Glucosyl)n, (1,6-alpha-D-Glucosyl)n+1, 1,6-alpha-D-Glucan, Asuro, Bicibon, Colyonal, Dextran 40, Dextran 70, Dextran 75, Dextran 80, Dextran B 1355, Dextran B 1355 S, Dextran B-1355, Dextran B-1355-S, Dextran B1355, Dextran B512, Dextran M 70, Dextran natrium-sulfat, Dextran polysulfate, Dextran sulfate, Dextran sulfate 500, Dextran sulfate sodium, Dextran sulfate, sodium, Dextran sulfuric acid, Dextran sulfuric acid ester, Dextran sulphate, Dextran T 40, Dextran T 500, Dextran T 70, Dextran T-40, Dextran T-500, Dextran, hydrogen sulfate, Dextrans, Hemodex, Hyskon, Infucoll, Infukoll, Intradex, Isomaltosaccharide, Isomaltotri-itol, Macrodex, Macrose, Polydextran sulfate, Polyglucin, Promit, Rheodextran, Rheoisodex, Rheomacrodex, Rheopolyglucin, Rondex, Saviosol, Sodium dextran sulfate, Sulfate sodium, dextran, Sulfate, dextran, Sulfate, sodium dextran |
| Compound Name | Isomaltotriose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 504.169 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 504.169 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 504.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.275584399999999 |
| Inchi | InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients