Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate
TL;DR: Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate (CAS 120308-52-3) is a chemical compound with molecular formula C46H48ClNO8S and molecular weight 809.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetamido-2-chloro-4-phenylmethoxy-3-phenylsulfanyl-6-[1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate
Also Known As: Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate, 5-(Acetylamino)-2-chloro-2,5-dideoxy-3-S-phenyl-4,7,8,9-tetrakis-O-(phenylmethyl)-3-thio-D-erythro-L-gluco-2-nonulopyranosonic Acid Methyl Ester, methyl 5-acetamido-2-chloro-4-phenylmethoxy-3-phenylsulfanyl-6-[1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate
| Molecular Formula | C46H48ClNO8S |
|---|---|
| Molecular Weight | 809.28 g/mol |
| LogP | 8.1319 |
| Topological Polar Surface Area | 101.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 809.27893 |
| Heavy Atoms | 57 |
| Complexity | 1946.7383 |
Chemical Identifiers
| CAS Number | 120308-52-3 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)(C(=O)OC)Cl)SC5=CC=CC=C5)OCC6=CC=CC=C6 |
Product Overview
Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate (CAS 120308-52-3), with molecular formula C46H48ClNO8S and molecular weight 809.28 g/mol. IUPAC: methyl 5-acetamido-2-chloro-4-phenylmethoxy-3-phenylsulfanyl-6-[1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate.
Chemical Property Profile of Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate
Property Insights of Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate
The XLogP value of 8.1319 indicates that Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate. Following Lipinski's Rule of Five, Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate?
The CAS number of Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate is 120308-52-3.
What is the molecular formula of Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate?
The molecular formula of Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate is C46H48ClNO8S.
What is the molecular weight of Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate?
The molecular weight of Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate is 809.28 g/mol.
Where can I buy Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate?
You can request a quote for Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.