Adenosylcobinamide methyl phosphate
TL;DR: Adenosylcobinamide methyl phosphate (CAS 147736-07-0) is a chemical compound with molecular formula C59H85CoN16O14P+ and molecular weight 1331.55 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+);3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[(2-methoxy-4-methyl-2-oxo-1,3,2λ5-dioxaphosphetan-4-yl)methylamino]-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide
Also Known As: Adocbi-pme, AdoCbi-P, Adenosylcobinamide methyl phosphate, Cobinamide, Co-(5'-deoxyadenosine-5') deriv, methyl hydrogen phosphate (ester), inner salt, Cobinamide, Co-(5'-deoxyadenosin-5'-yl)-, methyl hydrogen phosphate (ester), inner salt
| Molecular Formula | C59H85CoN16O14P+ |
|---|---|
| Molecular Weight | 1331.55 g/mol |
| LogP | 2.51609 |
| Topological Polar Surface Area | 502.89 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Exact Mass | 1331.55 |
| Heavy Atoms | 91 |
| Complexity | 3540.1277 |
Chemical Identifiers
| CAS Number | 147736-07-0 |
|---|---|
| SMILES | C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)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)CCC(=O)NCC6(OP(=O)(O6)OC)C.[CH2-]C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3] |
Product Overview
Adenosylcobinamide methyl phosphate (CAS 147736-07-0), with molecular formula C59H85CoN16O14P+ and molecular weight 1331.55 g/mol. IUPAC: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[(2-methoxy-4-methyl-2-oxo-1,3,2λ5-dioxaphosphetan-4-yl)methylamino]-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide.
Chemical Property Profile of Adenosylcobinamide methyl phosphate
Property Insights of Adenosylcobinamide methyl phosphate
The XLogP value of 2.51609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenosylcobinamide methyl phosphate. The TPSA of 502.89 Ų indicates high polarity, suggesting Adenosylcobinamide methyl phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosylcobinamide methyl phosphate has 10 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenosylcobinamide methyl phosphate?
The CAS number of Adenosylcobinamide methyl phosphate is 147736-07-0.
What is the molecular formula of Adenosylcobinamide methyl phosphate?
The molecular formula of Adenosylcobinamide methyl phosphate is C59H85CoN16O14P+.
What is the molecular weight of Adenosylcobinamide methyl phosphate?
The molecular weight of Adenosylcobinamide methyl phosphate is 1331.55 g/mol.
Where can I buy Adenosylcobinamide methyl phosphate?
You can request a quote for Adenosylcobinamide methyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosylcobinamide methyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Adenosylcobinamide methyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.