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 955.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C27H42N7Na2O20P3S |
|---|---|
| Molecular Weight | 955.12 g/mol |
| LogP | -8.9755 |
| Topological Polar Surface Area | 426.82 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Exact Mass | 955.12134 |
| Heavy Atoms | 60 |
| Complexity | 1960.5527 |
Chemical Identifiers
| CAS Number | 103476-21-7 |
|---|---|
| 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+] |
Product Overview
CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt (CAS 103476-21-7), with molecular formula C27H42N7Na2O20P3S and molecular weight 955.12 g/mol. IUPAC: 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.
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 426.82 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 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 955.12 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CoenzymeA,S-(hydrogen3-hydroxy-3-methylpentanedioate),disodiumsalt?
Yes, KEHONG BIO 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.