J1.455.439D
TL;DR: J1.455.439D (CAS 105817-15-0) is a chemical compound with molecular formula C17H30N2O13 and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminopropanoic acid
Also Known As: J1.455.439D, O-[2-(Acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-galactopyranosyl]-L-serine, O-[2-(Acetylamino)-2-deoxy-3-O-I(2)-D-galactopyranosyl-I(2)-D-galactopyranosyl]-L-serine, O-[3-O-beta-D-Galactopyranosyl-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]-L-serine, (2S)-2-amino-3-{[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}propanoic acid
| Molecular Formula | C17H30N2O13 |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | -7.2 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.17477 |
| Heavy Atoms | 32 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 105817-15-0 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)N)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O |
| InChIKey | XDMCWZFLLGVIID-GYLMZYTBSA-N |
Product Overview
J1.455.439D (CAS 105817-15-0), with molecular formula C17H30N2O13 and molecular weight 470.17 g/mol. IUPAC: (2S)-3-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminopropanoic acid.
Chemical Property Profile of J1.455.439D
Property Insights of J1.455.439D
The XLogP value of -7.2 indicates that J1.455.439D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 251.0 Ų indicates high polarity, suggesting J1.455.439D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.455.439D has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.455.439D?
The CAS number of J1.455.439D is 105817-15-0.
What is the molecular formula of J1.455.439D?
The molecular formula of J1.455.439D is C17H30N2O13.
What is the molecular weight of J1.455.439D?
The molecular weight of J1.455.439D is 470.17 g/mol.
Where can I buy J1.455.439D?
You can request a quote for J1.455.439D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.455.439D?
Yes, KEHONG BIO provides custom synthesis services for J1.455.439D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.