Glutathionylcobalamin
TL;DR: Glutathionylcobalamin (CAS 129128-04-7) is a chemical compound with molecular formula C72H104CoN16O20PS and molecular weight 1634.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropane-1-thiolate;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate
Also Known As: Glutathionylcobalamin, Gs-Cbl, glutathionyl-S-Co-Cbl, SID:315516745, Cobinamide, Co-(N-(N-L-gamma-glutamyl-L-cysteinyl)glycine) deriv., hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole
| Molecular Formula | C72H104CoN16O20PS |
|---|---|
| Molecular Weight | 1634.64 g/mol |
| LogP | 0.72384 |
| Topological Polar Surface Area | 623.74 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 35 |
| Exact Mass | 1634.6403 |
| Heavy Atoms | 111 |
| Complexity | 4240.8423 |
Chemical Identifiers
| CAS Number | 129128-04-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.C(CC(=O)NC(C[S-])C(=O)NCC(=O)O)C(C(=O)O)N.[Co+3] |
Product Overview
Glutathionylcobalamin (CAS 129128-04-7), with molecular formula C72H104CoN16O20PS and molecular weight 1634.64 g/mol. IUPAC: 2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropane-1-thiolate;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate.
Chemical Property Profile of Glutathionylcobalamin
Property Insights of Glutathionylcobalamin
The XLogP value of 0.72384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glutathionylcobalamin. The TPSA of 623.74 Ų indicates high polarity, suggesting Glutathionylcobalamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glutathionylcobalamin has 14 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glutathionylcobalamin?
The CAS number of Glutathionylcobalamin is 129128-04-7.
What is the molecular formula of Glutathionylcobalamin?
The molecular formula of Glutathionylcobalamin is C72H104CoN16O20PS.
What is the molecular weight of Glutathionylcobalamin?
The molecular weight of Glutathionylcobalamin is 1634.64 g/mol.
Where can I buy Glutathionylcobalamin?
You can request a quote for Glutathionylcobalamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glutathionylcobalamin?
Yes, KEHONG BIO provides custom synthesis services for Glutathionylcobalamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.