CAS 19553-76-5 - C80H144N4O37
TL;DR: CAS 19553-76-5 - C80H144N4O37 (CAS 19553-76-5) is a chemical compound with molecular formula C80H144N4O37 and molecular weight 1752.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,5S,6S)-2-[3-[(2R,3R,4S,6R)-6-[(2R,3S,4S,5R,6S)-5-[(2R,3S,4S,5S,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[3-hydroxy-1-(octadecanoylamino)octadec-4-en-2-yl]oxyoxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-amino-6-carboxy-4-hydroxyoxan-2-yl]-2,3-dihydroxypropoxy]-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Also Known As: (2R,4S,5R,6R)-5-AMINO-6-(3-{[(2R,4R,5S,6S)-5-AMINO-2-CARBOXY-4-HYDROXY-6-(1,2,3-TRIHYDROXYPROPYL)OXAN-2-YL]OXY}-1,2-DIHYDROXYPROPYL)-2-{[(2R,3S,4S,5R,6S)-2-{[(2R,3S,4R,5R,6R)-4,5-DIHYDROXY-6-{[(4E)-3-HYDROXY-1-OCTADECANAMIDOOCTADEC-4-EN-2-YL]OXY}-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}-5-{[(2R,3S,4S,5S,6S)-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)-4-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-3-HYDROXY-6-(HYDROXYMETHYL)OXAN-4-YL]OXY}-4-HYDROXYOXANE-2-CARBOXYLIC ACID
| Molecular Formula | C80H144N4O37 |
|---|---|
| Molecular Weight | 1752.95 g/mol |
| LogP | -4.2234 |
| Topological Polar Surface Area | 679.97 Ų |
| Hydrogen Bond Donors | 25 |
| Hydrogen Bond Acceptors | 37 |
| Rotatable Bonds | 57 |
| Exact Mass | 1752.9509 |
| Heavy Atoms | 121 |
| Complexity | 2947.2039 |
Chemical Identifiers
| CAS Number | 19553-76-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCC(C(C=CCCCCCCCCCCCCC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)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)O)O)NC(=O)C)O[C@]5(C[C@@H]([C@H]([C@@H](O5)C(C(CO[C@@]6(C[C@H]([C@@H]([C@H](O6)C(C(CO)O)O)N)O)C(=O)O)O)O)N)O)C(=O)O)O)O)O |
Product Overview
CAS 19553-76-5 - C80H144N4O37 (CAS 19553-76-5), with molecular formula C80H144N4O37 and molecular weight 1752.95 g/mol. IUPAC: (2R,4R,5S,6S)-2-[3-[(2R,3R,4S,6R)-6-[(2R,3S,4S,5R,6S)-5-[(2R,3S,4S,5S,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[3-hydroxy-1-(octadecanoylamino)octadec-4-en-2-yl]oxyoxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-amino-6-carboxy-4-hydroxyoxan-2-yl]-2,3-dihydroxypropoxy]-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.
Chemical Property Profile of CAS 19553-76-5 - C80H144N4O37
Property Insights of CAS 19553-76-5 - C80H144N4O37
The XLogP value of -4.2234 indicates that CAS 19553-76-5 - C80H144N4O37 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 679.97 Ų indicates high polarity, suggesting CAS 19553-76-5 - C80H144N4O37 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CAS 19553-76-5 - C80H144N4O37 has 25 hydrogen bond donor(s) and 37 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 19553-76-5 - C80H144N4O37?
The CAS number of CAS 19553-76-5 - C80H144N4O37 is 19553-76-5.
What is the molecular formula of CAS 19553-76-5 - C80H144N4O37?
The molecular formula of CAS 19553-76-5 - C80H144N4O37 is C80H144N4O37.
What is the molecular weight of CAS 19553-76-5 - C80H144N4O37?
The molecular weight of CAS 19553-76-5 - C80H144N4O37 is 1752.95 g/mol.
Where can I buy CAS 19553-76-5 - C80H144N4O37?
You can request a quote for CAS 19553-76-5 - C80H144N4O37 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 19553-76-5 - C80H144N4O37?
Yes, KEHONG BIO provides custom synthesis services for CAS 19553-76-5 - C80H144N4O37 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.