腺苷鈷胺素
TL;DR: 腺苷鈷胺素 (CAS 13870-90-1) is a chemical compound with molecular formula C72H100CoN18O17P and molecular weight 1578.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
腺苷鈷胺素
2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[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: Cobamamide, dibenzcozamide, Cobamamida, Cobamamidum, Dibencozide
| Molecular Formula | C72H100CoN18O17P |
|---|---|
| Molecular Weight | 1578.66 g/mol |
| LogP | 2.17463 |
| Topological Polar Surface Area | 584.23 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 27 |
| Exact Mass | 1578.6583 |
| Heavy Atoms | 109 |
| Complexity | 4518.481 |
Chemical Identifiers
| CAS Number | 13870-90-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(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
腺苷鈷胺素 (CAS 13870-90-1), with molecular formula C72H100CoN18O17P and molecular weight 1578.66 g/mol. IUPAC: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[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 腺苷鈷胺素
Property Insights of 腺苷鈷胺素
The XLogP value of 2.17463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 腺苷鈷胺素. The TPSA of 584.23 Ų indicates high polarity, suggesting 腺苷鈷胺素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 腺苷鈷胺素 has 12 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 腺苷鈷胺素?
The CAS number of 腺苷鈷胺素 is 13870-90-1.
What is the molecular formula of 腺苷鈷胺素?
The molecular formula of 腺苷鈷胺素 is C72H100CoN18O17P.
What is the molecular weight of 腺苷鈷胺素?
The molecular weight of 腺苷鈷胺素 is 1578.66 g/mol.
Where can I buy 腺苷鈷胺素?
You can request a quote for 腺苷鈷胺素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 腺苷鈷胺素?
Yes, KEHONG BIO provides custom synthesis services for 腺苷鈷胺素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.