D-Mannitol hexanicotinate
TL;DR: D-Mannitol hexanicotinate (CAS 15596-27-7) is a chemical compound with molecular formula C42H32N6O12 and molecular weight 812.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)hexyl] pyridine-3-carboxylate
Also Known As: D-Mannitol hexanicotinate, EINECS 239-676-9, MANNITOL, HEXANICOTINATE, D-, D-Mannitol, hexa-3-pyridinecarboxylate, D-MANNITOL HEXANICOTINATE [WHO-DD]
| Molecular Formula | C42H32N6O12 |
|---|---|
| Molecular Weight | 812.21 g/mol |
| LogP | 3.9728 |
| Topological Polar Surface Area | 235.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Exact Mass | 812.2078 |
| Heavy Atoms | 60 |
| Complexity | 2197.8723 |
Chemical Identifiers
| CAS Number | 15596-27-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OC[C@H]([C@H]([C@@H]([C@@H](COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6 |
Product Overview
D-Mannitol hexanicotinate (CAS 15596-27-7), with molecular formula C42H32N6O12 and molecular weight 812.21 g/mol. IUPAC: [(2R,3R,4R,5R)-2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)hexyl] pyridine-3-carboxylate.
Chemical Property Profile of D-Mannitol hexanicotinate
Property Insights of D-Mannitol hexanicotinate
The XLogP value of 3.9728 indicates that D-Mannitol hexanicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.14 Ų indicates high polarity, suggesting D-Mannitol hexanicotinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Mannitol hexanicotinate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-Mannitol hexanicotinate?
The CAS number of D-Mannitol hexanicotinate is 15596-27-7.
What is the molecular formula of D-Mannitol hexanicotinate?
The molecular formula of D-Mannitol hexanicotinate is C42H32N6O12.
What is the molecular weight of D-Mannitol hexanicotinate?
The molecular weight of D-Mannitol hexanicotinate is 812.21 g/mol.
Where can I buy D-Mannitol hexanicotinate?
You can request a quote for D-Mannitol hexanicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Mannitol hexanicotinate?
Yes, KEHONG BIO provides custom synthesis services for D-Mannitol hexanicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.