E-5531 tetrasodium
TL;DR: E-5531 tetrasodium (CAS 151663-12-6) is a chemical compound with molecular formula C73H132N2Na4O22P2 and molecular weight 1542.8337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrasodium;[(2R,3S,4R,5R,6R)-4-[(3R)-3-[(Z)-dodec-5-enoyl]oxydecoxy]-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-4-[(3R)-3-hydroxydecoxy]-5-(3-oxotetradecanoylamino)-6-phosphonatooxyoxan-2-yl]methoxy]-2-(methoxymethyl)-5-(3-oxotetradecanoylamino)oxan-3-yl] phosphate
Also Known As: E-5531 tetrasodium, 2-Deoxy-6-O-(2-deoxy-3-O-((R)-3-(Z)-dodec-5-enoyloxydecyl)-6-O-methyl-2-(3-oxotetradecanoylamino)-4-o-phosphonato-b-D-glucopyrnosyl)-3-O-((R)-3-hydroxydecyl)-2-(3-oxotetradecanoylamino)-a-D-glucopyranosylphosphate tetrasodium, .ALPHA.-D-GLUCOPYRANOSE, 2-DEOXY-6-O-(2-DEOXY-2-((1,3-DIOXOTETRADECYL)AMINO)-6-O-METHYL-3-O-((3R)-3-(((5Z)-1-OXO-5-DODECENYL)OXY)DECYL)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-((1,3-DIOXOTETRADECYL)AMINO)-3-O-((3R)-3-HYDROXYDECYL)-, 1-(DIHYDROGEN PHOSPHATE), TETRASODIUM SALT, .ALPHA.-D-GLUCOPYRANOSE, 2-DEOXY-6-O-(2-DEOXY-2-((1,3-DIOXOTETRADECYL)AMINO)-6-O-METHYL-3-O-(3-((1-OXO-5-DODECENYL)OXY)DECYL)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-((1,3-DIOXOTETRADECYL)AMINO)-3-O-(3-HYDROXYDECYL)-, 1-(DIHYDROGEN PHOSPHATE), TETRASODIUM SALT, (3(R),6(R(Z)))-, HX9L0AHW4Z
Technical Specifications
| Molecular Formula | C73H132N2Na4O22P2 |
| Molecular Weight | 1542.8337 g/mol |
| XLogP | -0.4937 |
| Topological Polar Surface Area (TPSA) | 359.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 64 |
| Exact Mass | 1542.8337 Da |
| Heavy Atoms | 103 |
| Complexity | 2200.0 |
| SMILES | CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)([O-])[O-])OCC[C@@H](CCCCCCC)OC(=O)CCC/C=C\CCCCCC)NC(=O)CC(=O)CCCCCCCCCCC)O)OCC[C@@H](CCCCCCC)O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | DGMRJWGRBMZSNS-PUTBNFGESA-J |
Chemical Property Profile of E-5531 tetrasodium
Property Insights of E-5531 tetrasodium
The XLogP value of -0.4937 indicates that E-5531 tetrasodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 359.0 Ų indicates high polarity, suggesting E-5531 tetrasodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, E-5531 tetrasodium has 4 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of E-5531 tetrasodium?
The CAS number of E-5531 tetrasodium is 151663-12-6.
What is the molecular formula of E-5531 tetrasodium?
The molecular formula of E-5531 tetrasodium is C73H132N2Na4O22P2.
What is the molecular weight of E-5531 tetrasodium?
The molecular weight of E-5531 tetrasodium is 1542.8337 g/mol.
Where can I buy E-5531 tetrasodium?
You can request a quote for E-5531 tetrasodium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for E-5531 tetrasodium?
Yes, CoreyChem provides custom synthesis services for E-5531 tetrasodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.