RefChem:1082880
TL;DR: RefChem:1082880 (CAS 47914-99-8) is a chemical compound with molecular formula C40H54N12O16P4 and molecular weight 1082.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrakis[bis(aziridin-1-yl)phosphorylcarbamoyloxy]hexyl] benzoate
Also Known As: D-Glucitol, 1,6-dibenzoate 2,3,4,5-tetrakis((bis(1-aziridinyl)phosphinyl)carbamate), [(2r,3r,4r,5s)-6-benzoyloxy-2,3,4,5-tetrakis(diaziridin-1-ylphosphoryl carbamoyloxy)hexyl] benzoate, [(2R,3R,4R,5S)-6-benzoyloxy-2,3,4,5-tetrakis[bis(aziridin-1-yl)phosphorylcarbamoyloxy]hexyl] benzoate, RefChem:1082880
| Molecular Formula | C40H54N12O16P4 |
|---|---|
| Molecular Weight | 1082.27 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 298.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 31 |
| Exact Mass | 1082.2731 |
| Heavy Atoms | 72 |
| Complexity | 2080.0 |
Chemical Identifiers
| CAS Number | 47914-99-8 |
|---|---|
| SMILES | C1CN1P(=O)(NC(=O)O[C@H](COC(=O)C2=CC=CC=C2)[C@H]([C@@H]([C@H](COC(=O)C3=CC=CC=C3)OC(=O)NP(=O)(N4CC4)N5CC5)OC(=O)NP(=O)(N6CC6)N7CC7)OC(=O)NP(=O)(N8CC8)N9CC9)N1CC1 |
| InChIKey | GLNDGRVJJBGDER-KMKAFXEASA-N |
Product Overview
RefChem:1082880 (CAS 47914-99-8), with molecular formula C40H54N12O16P4 and molecular weight 1082.27 g/mol. IUPAC: [(2S,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrakis[bis(aziridin-1-yl)phosphorylcarbamoyloxy]hexyl] benzoate.
Chemical Property Profile of RefChem:1082880
Property Insights of RefChem:1082880
The XLogP value of -0.1 indicates that RefChem:1082880 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 298.0 Ų indicates high polarity, suggesting RefChem:1082880 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1082880 has 4 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1082880?
The CAS number of RefChem:1082880 is 47914-99-8.
What is the molecular formula of RefChem:1082880?
The molecular formula of RefChem:1082880 is C40H54N12O16P4.
What is the molecular weight of RefChem:1082880?
The molecular weight of RefChem:1082880 is 1082.27 g/mol.
Where can I buy RefChem:1082880?
You can request a quote for RefChem:1082880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082880?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.