Vitamin B12 coenzyme 5'-phosphate
TL;DR: Vitamin B12 coenzyme 5'-phosphate (CAS 39044-48-9) is a chemical compound with molecular formula C72H101CoN18O20P2 and molecular weight 1658.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(phosphonooxymethyl)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: Adocbl-5'P, Cobamamide 5'-phosphate, Adenosylcobalamin 5'-phosphate, Vitamin B12 coenzyme 5'-phosphate, 5-Quinolinesulfonic acid,7-[(butylamino)carbonyl]-8-hydroxy
| Molecular Formula | C72H101CoN18O20P2 |
|---|---|
| Molecular Weight | 1658.62 g/mol |
| LogP | 2.29163 |
| Topological Polar Surface Area | 630.76 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 29 |
| Exact Mass | 1658.6246 |
| Heavy Atoms | 113 |
| Complexity | 4731.453 |
Chemical Identifiers
| CAS Number | 39044-48-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)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.[CH2-]C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3] |
Product Overview
Vitamin B12 coenzyme 5'-phosphate (CAS 39044-48-9), with molecular formula C72H101CoN18O20P2 and molecular weight 1658.62 g/mol. IUPAC: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(phosphonooxymethyl)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 Vitamin B12 coenzyme 5'-phosphate
Property Insights of Vitamin B12 coenzyme 5'-phosphate
The XLogP value of 2.29163 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vitamin B12 coenzyme 5'-phosphate. The TPSA of 630.76 Ų indicates high polarity, suggesting Vitamin B12 coenzyme 5'-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vitamin B12 coenzyme 5'-phosphate has 13 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vitamin B12 coenzyme 5'-phosphate?
The CAS number of Vitamin B12 coenzyme 5'-phosphate is 39044-48-9.
What is the molecular formula of Vitamin B12 coenzyme 5'-phosphate?
The molecular formula of Vitamin B12 coenzyme 5'-phosphate is C72H101CoN18O20P2.
What is the molecular weight of Vitamin B12 coenzyme 5'-phosphate?
The molecular weight of Vitamin B12 coenzyme 5'-phosphate is 1658.62 g/mol.
Where can I buy Vitamin B12 coenzyme 5'-phosphate?
You can request a quote for Vitamin B12 coenzyme 5'-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vitamin B12 coenzyme 5'-phosphate?
Yes, KEHONG BIO provides custom synthesis services for Vitamin B12 coenzyme 5'-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.