Pulchelloside II
TL;DR: Pulchelloside II (CAS 70095-21-5) is a chemical compound with molecular formula C17H26O12 and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aR,5R,6R,7R,7aR)-4a,5,6-trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Also Known As: PULCHELLOSIDE II, Pulchelloside-II, PULCHELLOSIDE I, methyl (1S,4aR,5R,6R,7R,7aR)-4a,5,6-trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate, Methyl (1S,4aR,5R,6R,7R,7aR)-1-(hexopyranosyloxy)-4a,5,6-trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
| Molecular Formula | C17H26O12 |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.14243 |
| Heavy Atoms | 29 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 70095-21-5 |
|---|---|
| SMILES | C[C@@H]1[C@H]2[C@@H](OC=C([C@]2([C@@H]([C@@H]1O)O)O)C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O |
| InChIKey | LGTHGFVYOAZGBN-XIMJSRCISA-N |
Product Overview
Pulchelloside II (CAS 70095-21-5), with molecular formula C17H26O12 and molecular weight 422.14 g/mol. IUPAC: methyl (1S,4aR,5R,6R,7R,7aR)-4a,5,6-trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Pulchelloside II
Property Insights of Pulchelloside II
The XLogP value of -2.9 indicates that Pulchelloside II is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting Pulchelloside II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pulchelloside II has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pulchelloside II?
The CAS number of Pulchelloside II is 70095-21-5.
What is the molecular formula of Pulchelloside II?
The molecular formula of Pulchelloside II is C17H26O12.
What is the molecular weight of Pulchelloside II?
The molecular weight of Pulchelloside II is 422.14 g/mol.
Where can I buy Pulchelloside II?
You can request a quote for Pulchelloside II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pulchelloside II?
Yes, KEHONG BIO provides custom synthesis services for Pulchelloside II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.