Diglutathionyl dithiocarbonate
TL;DR: Diglutathionyl dithiocarbonate (CAS 78971-64-9) is a chemical compound with molecular formula C21H32N6O13S2 and molecular weight 640.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[[(2S,4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,5-bis(carboxymethylamino)-1,3,5-trioxo-2,4-bis(sulfanylmethyl)pentan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Gscosg, Diglutathionyl dithiocarbonate, Glycine, N-(N-L-gamma-glutamyl-L-cysteinyl)-, carbonate (2:1) (ester), (2S)-2-amino-5-[[(2S,4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,5-bis(carboxymethylamino)-1,3,5-trioxo-2,4-bis(sulfanylmethyl)pentan-2-yl]amino]-5-oxopentanoic acid, (2S)-2-[[[(1S)-1-carboxy-4-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]sulfanylcarbothioyloxyamino]-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
| Molecular Formula | C21H32N6O13S2 |
|---|---|
| Molecular Weight | 640.15 g/mol |
| LogP | -9.5 |
| Topological Polar Surface Area | 337.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Exact Mass | 640.14685 |
| Heavy Atoms | 42 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 78971-64-9 |
|---|---|
| SMILES | C(CC(=O)N[C@@](CS)(C(=O)[C@@](CS)(C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N |
| InChIKey | WMWYZNQWEWYCHI-JMXOWRDLSA-N |
Product Overview
Diglutathionyl dithiocarbonate (CAS 78971-64-9), with molecular formula C21H32N6O13S2 and molecular weight 640.15 g/mol. IUPAC: (2S)-2-amino-5-[[(2S,4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,5-bis(carboxymethylamino)-1,3,5-trioxo-2,4-bis(sulfanylmethyl)pentan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Diglutathionyl dithiocarbonate
Property Insights of Diglutathionyl dithiocarbonate
The XLogP value of -9.5 indicates that Diglutathionyl dithiocarbonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 337.0 Ų indicates high polarity, suggesting Diglutathionyl dithiocarbonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diglutathionyl dithiocarbonate has 12 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diglutathionyl dithiocarbonate?
The CAS number of Diglutathionyl dithiocarbonate is 78971-64-9.
What is the molecular formula of Diglutathionyl dithiocarbonate?
The molecular formula of Diglutathionyl dithiocarbonate is C21H32N6O13S2.
What is the molecular weight of Diglutathionyl dithiocarbonate?
The molecular weight of Diglutathionyl dithiocarbonate is 640.15 g/mol.
Where can I buy Diglutathionyl dithiocarbonate?
You can request a quote for Diglutathionyl dithiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diglutathionyl dithiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for Diglutathionyl dithiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.