![[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate structure](/static/products/1729/172939-67-2.webp)
[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate
TL;DR: [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate (CAS 172939-67-2) is a chemical compound with molecular formula C41H40N2O12 and molecular weight 752.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetamido-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate
Also Known As: [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate|3-O-Benzoyl-N-acetyl- -D-galactosaminyl-1-O-N-(Fmoc)serine Phenacylester|2-Acetamido-3-O-benzoyl-2-deoxy-a-D-galactopyranosyl Fmoc serine phenacyl ester|[3-acetamido-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate|3-Acetamido-2-[2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-oxo-3-(2-oxo-2-phenylethoxy)propoxy]-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl benzoate
| Molecular Formula | C41H40N2O12 |
|---|---|
| Molecular Weight | 752.26 g/mol |
| LogP | 3.1448 |
| Topological Polar Surface Area | 196.02 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 752.2581 |
| Heavy Atoms | 55 |
| Complexity | 1946.0488 |
Chemical Identifiers
| CAS Number | 172939-67-2 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1OCC(C(=O)OCC(=O)C2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CO)O)OC(=O)C6=CC=CC=C6 |
Product Overview
[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate (CAS 172939-67-2), with molecular formula C41H40N2O12 and molecular weight 752.26 g/mol. IUPAC: [3-acetamido-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate.
Chemical Property Profile of [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate
Property Insights of [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate
The XLogP value of 3.1448 indicates that [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.02 Ų indicates high polarity, suggesting [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate?
The CAS number of [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate is 172939-67-2.
What is the molecular formula of [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate?
The molecular formula of [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate is C41H40N2O12.
What is the molecular weight of [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate?
The molecular weight of [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate is 752.26 g/mol.
Where can I buy [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate?
You can request a quote for [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-phenacyloxypropoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.