L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt
TL;DR: L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt (CAS 111727-49-2) is a chemical compound with molecular formula C35H55Na2O10P and molecular weight 712.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(2R)-2-[(1S)-2-hydroxy-1-oxidoethyl]-4-[hydroxy-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]phosphoryl]oxy-5-oxo-2H-furan-3-olate
Also Known As: L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt, disodium (5R)-5-[(1S)-2-hydroxy-1-oxidoethyl]-3-[hydroxy-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]phosphoryl]oxy-4-oxofuran-2-olate
| Molecular Formula | C35H55Na2O10P |
|---|---|
| Molecular Weight | 712.33 g/mol |
| LogP | -0.14304 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 712.3328 |
| Heavy Atoms | 48 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 111727-49-2 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OP(=O)(O)OC3=C([C@H](OC3=O)[C@H](CO)[O-])[O-])C.[Na+].[Na+] |
| InChIKey | RYSIBFZVZRJBEO-LTHIYSKGSA-M |
Product Overview
L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt (CAS 111727-49-2), with molecular formula C35H55Na2O10P and molecular weight 712.33 g/mol. IUPAC: disodium;(2R)-2-[(1S)-2-hydroxy-1-oxidoethyl]-4-[hydroxy-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]phosphoryl]oxy-5-oxo-2H-furan-3-olate.
Chemical Property Profile of L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt
Property Insights of L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt
The XLogP value of -0.14304 indicates that L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt?
The CAS number of L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt is 111727-49-2.
What is the molecular formula of L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt?
The molecular formula of L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt is C35H55Na2O10P.
What is the molecular weight of L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt?
The molecular weight of L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt is 712.33 g/mol.
Where can I buy L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt?
You can request a quote for L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt?
Yes, KEHONG BIO provides custom synthesis services for L-Ascorbic acid, 2-(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylhydrogen phosphate), disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.