12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide
TL;DR: 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide (CAS 93804-15-0) is a chemical compound with molecular formula C10H28N2O16P4 and molecular weight 556.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[bis(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl dihydrogen phosphate
Also Known As: 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide, [(Hexane-1,6-diyl)bis(nitrilo)bis(methylene)] tetrakis[dihydrogen (phosphate)], [6-(bis(phosphonooxymethyl)amino)hexyl-(phosphonooxymethyl)amino]methoxyphosphonic Acid, [6-[bis(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl dihydrogen phosphate, ({1,12-diphosphono-10-[(phosphonooxy)methyl]-1,12-dioxa-3,10-diazadodecan-3-yl}methoxy)phosphonic acid
| Molecular Formula | C10H28N2O16P4 |
|---|---|
| Molecular Weight | 556.04 g/mol |
| LogP | -9.6 |
| Topological Polar Surface Area | 274.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Exact Mass | 556.03894 |
| Heavy Atoms | 32 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 93804-15-0 |
|---|---|
| SMILES | C(CCCN(COP(=O)(O)O)COP(=O)(O)O)CCN(COP(=O)(O)O)COP(=O)(O)O |
| InChIKey | NKIXHMJOANMLAB-UHFFFAOYSA-N |
Product Overview
12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide (CAS 93804-15-0), with molecular formula C10H28N2O16P4 and molecular weight 556.04 g/mol. IUPAC: [6-[bis(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl dihydrogen phosphate.
Chemical Property Profile of 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide
Property Insights of 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide
The XLogP value of -9.6 indicates that 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 274.0 Ų indicates high polarity, suggesting 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide has 8 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 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide?
The CAS number of 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide is 93804-15-0.
What is the molecular formula of 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide?
The molecular formula of 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide is C10H28N2O16P4.
What is the molecular weight of 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide?
The molecular weight of 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide is 556.04 g/mol.
Where can I buy 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide?
You can request a quote for 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide?
Yes, KEHONG BIO provides custom synthesis services for 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.