Nitritocobalamin
TL;DR: Nitritocobalamin (CAS 20623-13-6) is a chemical compound with molecular formula C62H88CoN14O16P and molecular weight 1374.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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;nitrite
Also Known As: Nitritocobalamin, Nitrocobalamin, Vitamin B12c, EINECS 243-924-1, Nitritocobalamin (~90per cent by HPLC)
| Molecular Formula | C62H88CoN14O16P |
|---|---|
| Molecular Weight | 1374.56 g/mol |
| LogP | 3.56344 |
| Topological Polar Surface Area | 517.41 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 26 |
| Exact Mass | 1374.5573 |
| Heavy Atoms | 94 |
| Complexity | 3605.845 |
Chemical Identifiers
| CAS Number | 20623-13-6 |
|---|---|
| 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.N(=O)[O-].[Co+3] |
Product Overview
Nitritocobalamin (CAS 20623-13-6), with molecular formula C62H88CoN14O16P and molecular weight 1374.56 g/mol. IUPAC: 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;nitrite.
Chemical Property Profile of Nitritocobalamin
Property Insights of Nitritocobalamin
The XLogP value of 3.56344 indicates that Nitritocobalamin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 517.41 Ų indicates high polarity, suggesting Nitritocobalamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nitritocobalamin has 9 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 Nitritocobalamin?
The CAS number of Nitritocobalamin is 20623-13-6.
What is the molecular formula of Nitritocobalamin?
The molecular formula of Nitritocobalamin is C62H88CoN14O16P.
What is the molecular weight of Nitritocobalamin?
The molecular weight of Nitritocobalamin is 1374.56 g/mol.
Where can I buy Nitritocobalamin?
You can request a quote for Nitritocobalamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitritocobalamin?
Yes, KEHONG BIO provides custom synthesis services for Nitritocobalamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.