(S)-Hydroxyhexanoyl-CoA
TL;DR: (S)-Hydroxyhexanoyl-CoA (CAS 74875-70-0) is a chemical compound with molecular formula C27H46N7O18P3S and molecular weight 881.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxyhexanethioate
Also Known As: (S)-Hydroxyhexanoyl-CoA, (S)-3-Hydroxyhexanoyl-CoA, J2.755.104A, S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxyhexanethioate, {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxyhexanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
| Molecular Formula | C27H46N7O18P3S |
|---|---|
| Molecular Weight | 881.18 g/mol |
| LogP | -5.1 |
| Topological Polar Surface Area | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 24 |
| Exact Mass | 881.1833 |
| Heavy Atoms | 56 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 74875-70-0 |
|---|---|
| SMILES | CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(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)O)O |
| InChIKey | VAAHKRMGOFIORX-DWUFXMDISA-N |
Product Overview
(S)-Hydroxyhexanoyl-CoA (CAS 74875-70-0), with molecular formula C27H46N7O18P3S and molecular weight 881.18 g/mol. IUPAC: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxyhexanethioate.
Chemical Property Profile of (S)-Hydroxyhexanoyl-CoA
Property Insights of (S)-Hydroxyhexanoyl-CoA
The XLogP value of -5.1 indicates that (S)-Hydroxyhexanoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 409.0 Ų indicates high polarity, suggesting (S)-Hydroxyhexanoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-Hydroxyhexanoyl-CoA has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-Hydroxyhexanoyl-CoA?
The CAS number of (S)-Hydroxyhexanoyl-CoA is 74875-70-0.
What is the molecular formula of (S)-Hydroxyhexanoyl-CoA?
The molecular formula of (S)-Hydroxyhexanoyl-CoA is C27H46N7O18P3S.
What is the molecular weight of (S)-Hydroxyhexanoyl-CoA?
The molecular weight of (S)-Hydroxyhexanoyl-CoA is 881.18 g/mol.
Where can I buy (S)-Hydroxyhexanoyl-CoA?
You can request a quote for (S)-Hydroxyhexanoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Hydroxyhexanoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for (S)-Hydroxyhexanoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.