Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr
TL;DR: Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr (CAS 142035-49-2) is a chemical compound with molecular formula C45H67N9O19 and molecular weight 1037.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[[1-[2-[[3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2-amino-3-methylbutanoyl)amino]butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Also Known As: Vgagathpgy, V(Galbeta3GalNAcalpha)thpgy, Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr, 2-[[2-[[1-[2-[[3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2-amino-3-methylbutanoyl)amino]butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid, L-Tyrosine, N-(N-(N-(N-(O-(2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-galctopyranosyl)-N-L-valyl-L-threonyl)-L-histidyl)-L-prolyl)glycyl)-
| Molecular Formula | C45H67N9O19 |
|---|---|
| Molecular Weight | 1037.46 g/mol |
| LogP | -6.297 |
| Topological Polar Surface Area | 436.34 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Exact Mass | 1037.4553 |
| Heavy Atoms | 73 |
| Complexity | 2188.1787 |
Chemical Identifiers
| CAS Number | 142035-49-2 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(C(C)OC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)NC(=O)C)C(=O)NC(CC3=CN=CN3)C(=O)N4CCCC4C(=O)NCC(=O)NC(CC5=CC=C(C=C5)O)C(=O)O)N |
Product Overview
Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr (CAS 142035-49-2), with molecular formula C45H67N9O19 and molecular weight 1037.46 g/mol. IUPAC: 2-[[2-[[1-[2-[[3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2-amino-3-methylbutanoyl)amino]butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr
Property Insights of Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr
The XLogP value of -6.297 indicates that Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 436.34 Ų indicates high polarity, suggesting Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr has 15 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr?
The CAS number of Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr is 142035-49-2.
What is the molecular formula of Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr?
The molecular formula of Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr is C45H67N9O19.
What is the molecular weight of Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr?
The molecular weight of Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr is 1037.46 g/mol.
Where can I buy Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr?
You can request a quote for Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr?
Yes, KEHONG BIO provides custom synthesis services for Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.