CAS 59247-13-1 - C88H157N5O44
TL;DR: CAS 59247-13-1 - C88H157N5O44 (CAS 59247-13-1) is a chemical compound with molecular formula C88H157N5O44 and molecular weight 1988.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5R,6R)-2-[(2S,3S,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-3-acetamido-2-[(2S,3R,4S,5S,6R)-4-[(2R,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[3-hydroxy-1-(octadecanoylamino)octadec-4-en-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-amino-6-[2-[(2R,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid
Also Known As: (2R,4S,5R,6R)-5-AMINO-6-(2-{[(2R,4S,5R,6R)-5-AMINO-2-CARBOXY-4-HYDROXY-6-(1,2,3-TRIHYDROXYPROPYL)OXAN-2-YL]OXY}-1,2-DIHYDROXYETHYL)-2-{[(2S,3S,4R,5R,6S)-2-{[(2R,3S,4S,5S,6S)-2-{[(2S,3R,4S,5S,6R)-4-{[(2R,4S,5R,6R)-5-AMINO-2-CARBOXY-4-HYDROXY-6-(1,2,3-TRIHYDROXYPROPYL)OXAN-2-YL]OXY}-6-{[(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-HYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}-3-ACETAMIDO-5-HYDROXY-6-(HYDROXYMETHYL)OXAN-4-YL]OXY}-3,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-4-YL]OXY}-4-HYDROXYOXANE-2-CARBOXYLIC ACID
| Molecular Formula | C88H157N5O44 |
|---|---|
| Molecular Weight | 1988.02 g/mol |
| LogP | -7.2695 |
| Topological Polar Surface Area | 822.44 Ų |
| Hydrogen Bond Donors | 30 |
| Hydrogen Bond Acceptors | 44 |
| Rotatable Bonds | 62 |
| Exact Mass | 1988.0201 |
| Heavy Atoms | 137 |
| Complexity | 3513.1042 |
Chemical Identifiers
| CAS Number | 59247-13-1 |
|---|---|
| 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[C@]5(C[C@@H]([C@H]([C@@H](O5)C(C(O)O[C@]6(C[C@@H]([C@H]([C@@H](O6)C(C(CO)O)O)N)O)C(=O)O)O)N)O)C(=O)O)O)NC(=O)C)O[C@]7(C[C@@H]([C@H]([C@@H](O7)C(C(CO)O)O)N)O)C(=O)O)O)O)O |
Product Overview
CAS 59247-13-1 - C88H157N5O44 (CAS 59247-13-1), with molecular formula C88H157N5O44 and molecular weight 1988.02 g/mol. IUPAC: (2R,4S,5R,6R)-2-[(2S,3S,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-3-acetamido-2-[(2S,3R,4S,5S,6R)-4-[(2R,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[3-hydroxy-1-(octadecanoylamino)octadec-4-en-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-amino-6-[2-[(2R,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid.
Chemical Property Profile of CAS 59247-13-1 - C88H157N5O44
Property Insights of CAS 59247-13-1 - C88H157N5O44
The XLogP value of -7.2695 indicates that CAS 59247-13-1 - C88H157N5O44 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 822.44 Ų indicates high polarity, suggesting CAS 59247-13-1 - C88H157N5O44 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CAS 59247-13-1 - C88H157N5O44 has 30 hydrogen bond donor(s) and 44 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 59247-13-1 - C88H157N5O44?
The CAS number of CAS 59247-13-1 - C88H157N5O44 is 59247-13-1.
What is the molecular formula of CAS 59247-13-1 - C88H157N5O44?
The molecular formula of CAS 59247-13-1 - C88H157N5O44 is C88H157N5O44.
What is the molecular weight of CAS 59247-13-1 - C88H157N5O44?
The molecular weight of CAS 59247-13-1 - C88H157N5O44 is 1988.02 g/mol.
Where can I buy CAS 59247-13-1 - C88H157N5O44?
You can request a quote for CAS 59247-13-1 - C88H157N5O44 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 59247-13-1 - C88H157N5O44?
Yes, KEHONG BIO provides custom synthesis services for CAS 59247-13-1 - C88H157N5O44 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.