Carbaphosphonate
TL;DR: Carbaphosphonate (CAS 119480-87-4) is a chemical compound with molecular formula C8H15O8P and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexane-1-carboxylic acid
Also Known As: carbaphosphonate, J2.610.851I, [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID, (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexane-1-carboxylic acid, CRB
| Molecular Formula | C8H15O8P |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.05045 |
| Heavy Atoms | 17 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 119480-87-4 |
|---|---|
| SMILES | C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O |
| InChIKey | BKLICLLAHMTUPK-UNGCPHIMSA-N |
Product Overview
Carbaphosphonate (CAS 119480-87-4), with molecular formula C8H15O8P and molecular weight 270.05 g/mol. IUPAC: (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexane-1-carboxylic acid.
Chemical Property Profile of Carbaphosphonate
Property Insights of Carbaphosphonate
The XLogP value of -3.3 indicates that Carbaphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Carbaphosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbaphosphonate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbaphosphonate?
The CAS number of Carbaphosphonate is 119480-87-4.
What is the molecular formula of Carbaphosphonate?
The molecular formula of Carbaphosphonate is C8H15O8P.
What is the molecular weight of Carbaphosphonate?
The molecular weight of Carbaphosphonate is 270.05 g/mol.
Where can I buy Carbaphosphonate?
You can request a quote for Carbaphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbaphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Carbaphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.