Pectinioside C
TL;DR: Pectinioside C (CAS 127984-74-1) is a chemical compound with molecular formula C64H106NaO32S+ and molecular weight 1441.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium [6-[4-[5-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-(5-ethyl-2-hydroxy-6-methyl-4-oxoheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: Pectinioside C, 1-Methyl-3-phenyl-1,2,4-triazin-5-one, stigmast-9(11)-en-23-one, 6-[[o--6-deoxyhexopyranosyl-(1-, sodium [6-[4-[5-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-(5-ethyl-2-hydroxy-6-methyl-4-oxoheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate, Stigmast-9(11)-en-23-one, 6-((O-6-deoxy-beta-D-galactopyranosyl-(1-3)-O-6-deoxy-beta-D-galactopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-O-(6-deoxy-beta-D-glucopyranosyl-(1-2))-O-beta-D-xylopyranosyl-(1-3)-6-deoxy-beta-D-glucopyranosyl)oxy)-20-hydroxy-3-(sulfooxy)-, monosodium salt, (3beta,5alpha,6alpha)-
| Molecular Formula | C64H106NaO32S+ |
|---|---|
| Molecular Weight | 1441.63 g/mol |
| LogP | -6.1847 |
| Topological Polar Surface Area | 503.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 21 |
| Exact Mass | 1441.6285 |
| Heavy Atoms | 98 |
| Complexity | 2790.0 |
Chemical Identifiers
| CAS Number | 127984-74-1 |
|---|---|
| SMILES | CCC(C(C)C)C(=O)CC(C)(C1CCC2C1(CC=C3C2CC(C4C3(CCC(C4)OS(=O)(=O)O)C)OC5C(C(C(C(O5)C)O)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)OC9C(C(C(C(O9)C)O)O)O)O)O)OC1C(C(C(C(O1)C)O)O)O)O)C)O.[Na+] |
| InChIKey | IUNJTKDLQRZMJG-UHFFFAOYSA-N |
Product Overview
Pectinioside C (CAS 127984-74-1), with molecular formula C64H106NaO32S+ and molecular weight 1441.63 g/mol. IUPAC: sodium [6-[4-[5-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-(5-ethyl-2-hydroxy-6-methyl-4-oxoheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of Pectinioside C
Property Insights of Pectinioside C
The XLogP value of -6.1847 indicates that Pectinioside C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 503.0 Ų indicates high polarity, suggesting Pectinioside C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pectinioside C has 16 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pectinioside C?
The CAS number of Pectinioside C is 127984-74-1.
What is the molecular formula of Pectinioside C?
The molecular formula of Pectinioside C is C64H106NaO32S+.
What is the molecular weight of Pectinioside C?
The molecular weight of Pectinioside C is 1441.63 g/mol.
Where can I buy Pectinioside C?
You can request a quote for Pectinioside C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pectinioside C?
Yes, KEHONG BIO provides custom synthesis services for Pectinioside C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.