Xyl(b1-4)Xyl
PubChem CID: 439538
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| Compound Synonyms | 1,4-D-xylobiose, 6860-47-5, (1,4)-beta-xylobiose, bmse000793, bmse000823, (2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol, 83113-52-4, (3R,4R,5R)-5-(((2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol, 1,4-beta-Xylobiose, (2S,3R,4S,5R)-2-{[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxy}oxane-3,4,5-triol, AC1L97JQ, 4-O-beta-D-Xylopyranosyl-D-xylose, D-xylobiose, CTK8F3007, MFCD00135984, Xylbeta(1,4)Xyl, Xylbeta(1->4)Xyl, Xyl(b1-4)Xyl, (Xyl)2, beta-D-Xyl-(1->4)-D-Xyl, CHEBI:28309, beta-D-Xylp-(1->4)-D-Xylp, LGQKSQQRKHFMLI-WSNPFVOISA-N, G17239IY, 4-O-(b-D-Xylopyranosyl)-D-xylose, s3253, 1,4--D-Xylobiose, 1,4-D-Xylobiose, AKOS030228569, OX05190, 4-O-(b-D-Xylopyranosyl)-D-xylopyranose, 4-O-?-D-XYLOPYRANOSYL-D-XYLOSE, 4-O-beta-D-xylopyranosyl-D-xylopyranose, AC-34509, AS-56649, beta-D-xylopyranosyl-(1->4)-D-xylopyranose, CS-0455833, NS00074332, C01630, D78467, (2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxytetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol, (3R,4R,5R)-5-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2,3,4-triol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 149.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Np Classifier Class | Disaccharides |
| Deep Smiles | O[C@@H]CO[C@H][C@@H][C@H]6O))O))O[C@@H]COC[C@@H][C@H]6O))O))O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC(OC2CCCOC2)OC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O9 |
| Scaffold Graph Node Bond Level | C1CCC(OC2CCCOC2)OC1 |
| Inchi Key | LGQKSQQRKHFMLI-WSNPFVOISA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | xylobiose |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC(C)O, CO[C@H](C)OC |
| Compound Name | Xyl(b1-4)Xyl |
| Exact Mass | 282.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.095 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 282.24 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9?,10+/m1/s1 |
| Smiles | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2COC([C@@H]([C@H]2O)O)O)O)O)O |
| 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 Pinus Sylvestris (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729