Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt
TL;DR: Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt (CAS 129279-24-9) is a chemical compound with molecular formula C24H17NNa2O14P2 and molecular weight 650.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;[[[2-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)oxyacetyl]amino]-phosphonatomethyl]phosphonic acid
Also Known As: Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt, disodium [[[2-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)oxyacetyl]amino]-phosphonatomethyl]phosphonic acid
| Molecular Formula | C24H17NNa2O14P2 |
|---|---|
| Molecular Weight | 650.99 g/mol |
| LogP | -5.6782 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 650.99194 |
| Heavy Atoms | 43 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 129279-24-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)OCC(=O)NC(P(=O)(O)O)P(=O)([O-])[O-])C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O.[Na+].[Na+] |
| InChIKey | HIDIIFZKQVYVMN-UHFFFAOYSA-L |
Product Overview
Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt (CAS 129279-24-9), with molecular formula C24H17NNa2O14P2 and molecular weight 650.99 g/mol. IUPAC: disodium;[[[2-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)oxyacetyl]amino]-phosphonatomethyl]phosphonic acid.
Chemical Property Profile of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt
Property Insights of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt
The XLogP value of -5.6782 indicates that Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 252.0 Ų indicates high polarity, suggesting Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt?
The CAS number of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt is 129279-24-9.
What is the molecular formula of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt?
The molecular formula of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt is C24H17NNa2O14P2.
What is the molecular weight of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt?
The molecular weight of Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt is 650.99 g/mol.
Where can I buy Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt?
You can request a quote for Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.