CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt
TL;DR: CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt (CAS 103476-21-7) is a chemical compound with molecular formula C27H42N7Na2O20P3S and molecular weight 955.12134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
Also Known As: CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt, Coenzyme A, S-(hydrogen 3-hydroxy-3-methyl pentanedioate), disodium salt, disodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(3,5-dihydroxy-3-methyl-5-oxopentanoyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
Technical Specifications
| Molecular Formula | C27H42N7Na2O20P3S |
| Molecular Weight | 955.12134 g/mol |
| XLogP | -8.9755 |
| Topological Polar Surface Area (TPSA) | 452.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 23 |
| Exact Mass | 955.12134 Da |
| Heavy Atoms | 60 |
| Complexity | 1600.0 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=O)O)O)O.[Na+].[Na+] |
| InChIKey | XCMQYNRDGHLEPX-FZFZRPSRSA-L |
Product Description
Applications: CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt is a fine chemical identified by CAS number 103476-21-7 and the molecular formula C27H42N7Na2O20P3S and a molecular weight of 955.12 g/mol. Synonyms include CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt and Coenzyme A, S-(hydrogen 3-hydroxy-3-methyl pentanedioate), disodium salt.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt
Property Insights of CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt
The XLogP value of -8.9755 indicates that CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 452.0 Ų indicates high polarity, suggesting CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt has 9 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt?
The CAS number of CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt is 103476-21-7.
What is the molecular formula of CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt?
The molecular formula of CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt is C27H42N7Na2O20P3S.
What is the molecular weight of CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt?
The molecular weight of CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt is 955.12134 g/mol.
What are the applications of CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt?
CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt?
You can request a quote for CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt?
Yes, CoreyChem provides custom synthesis services for CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.