vitamin B12
TL;DR: vitamin B12 (CAS 13408-78-1) is a chemical compound with molecular formula C63H88CoN14O14P and molecular weight 1354.5674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-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-24-id-3-yl]propanoylamino]propan-2-yl] phosphate;cyanide
Also Known As: vitamin B12, cyanocobalamin, cobalamin, Crystamine, Anacobin
Technical Specifications
| Molecular Formula | C63H88CoN14O14P |
| Molecular Weight | 1354.5674 g/mol |
| XLogP | 3.40921 |
| Topological Polar Surface Area (TPSA) | 476.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 26 |
| Exact Mass | 1354.5674 Da |
| Heavy Atoms | 93 |
| Complexity | 3220.0 |
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3] |
| InChIKey | FDJOLVPMNUYSCM-WZHZPDAFSA-L |
Chemical Property Profile of vitamin B12
Property Insights of vitamin B12
The XLogP value of 3.40921 indicates that vitamin B12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 476.0 Ų indicates high polarity, suggesting vitamin B12 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, vitamin B12 has 9 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of vitamin B12?
The CAS number of vitamin B12 is 13408-78-1.
What is the molecular formula of vitamin B12?
The molecular formula of vitamin B12 is C63H88CoN14O14P.
What is the molecular weight of vitamin B12?
The molecular weight of vitamin B12 is 1354.5674 g/mol.
Where can I buy vitamin B12?
You can request a quote for vitamin B12 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for vitamin B12?
Yes, CoreyChem provides custom synthesis services for vitamin B12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.