Diphosphonopentaosylceramide
TL;DR: Diphosphonopentaosylceramide (CAS 103147-89-3) is a chemical compound with molecular formula C71H134N4O32P2 and molecular weight 1616.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-6-[(2S,3R,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[2-aminoethyl(hydroxy)phosphoryl]oxymethyl]-2-[(2R,3S,4R,5R,6R)-6-[(E,2R,3S)-2-(heptadecanoylamino)-3-hydroxyheptadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-(2-aminoethyl)phosphinic acid
Also Known As: Sgl-II, Diphosphonopentaosylceramide, Bis(2-aminoethylphosphono)pentaoside, Aminophosphonoglycophospholipid sgl II, 3-Omegal 1-3GalNAc 1-3(6'-O-(2-aminoethylphosphonyl)gal 1-2)(2-aminoethylphosphonyl-6)gal 1-4Glc 1-1Cer
| Molecular Formula | C71H134N4O32P2 |
|---|---|
| Molecular Weight | 1616.85 g/mol |
| LogP | -0.1813 |
| Topological Polar Surface Area | 567.82 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 55 |
| Exact Mass | 1616.8457 |
| Heavy Atoms | 109 |
| Complexity | 2606.5974 |
Chemical Identifiers
| CAS Number | 103147-89-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H](C([C@H]([C@H](O2)COP(=O)(CCN)O)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OC)O)NC(=O)C)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)COP(=O)(CCN)O)O)O)O)O)O)[C@H](/C=C/CCCCCCCCCCCC)O |
Product Overview
Diphosphonopentaosylceramide (CAS 103147-89-3), with molecular formula C71H134N4O32P2 and molecular weight 1616.85 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-6-[(2S,3R,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[2-aminoethyl(hydroxy)phosphoryl]oxymethyl]-2-[(2R,3S,4R,5R,6R)-6-[(E,2R,3S)-2-(heptadecanoylamino)-3-hydroxyheptadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-(2-aminoethyl)phosphinic acid.
Chemical Property Profile of Diphosphonopentaosylceramide
Property Insights of Diphosphonopentaosylceramide
The XLogP value of -0.1813 indicates that Diphosphonopentaosylceramide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 567.82 Ų indicates high polarity, suggesting Diphosphonopentaosylceramide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diphosphonopentaosylceramide has 19 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diphosphonopentaosylceramide?
The CAS number of Diphosphonopentaosylceramide is 103147-89-3.
What is the molecular formula of Diphosphonopentaosylceramide?
The molecular formula of Diphosphonopentaosylceramide is C71H134N4O32P2.
What is the molecular weight of Diphosphonopentaosylceramide?
The molecular weight of Diphosphonopentaosylceramide is 1616.85 g/mol.
Where can I buy Diphosphonopentaosylceramide?
You can request a quote for Diphosphonopentaosylceramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphosphonopentaosylceramide?
Yes, KEHONG BIO provides custom synthesis services for Diphosphonopentaosylceramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.