Pulchelloside I
TL;DR: Pulchelloside I (CAS 67244-49-9) 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,7S,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 I, Pulchelloside, Pulchelloside-I, NCI60_003341, methyl (1S,4aR,5R,6R,7S,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
| 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 | 67244-49-9 |
|---|---|
| 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-NLGPCEMXSA-N |
Product Overview
Pulchelloside I (CAS 67244-49-9), with molecular formula C17H26O12 and molecular weight 422.14 g/mol. IUPAC: methyl (1S,4aR,5R,6R,7S,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 I
Property Insights of Pulchelloside I
The XLogP value of -2.9 indicates that Pulchelloside I 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 I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pulchelloside I 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 I?
The CAS number of Pulchelloside I is 67244-49-9.
What is the molecular formula of Pulchelloside I?
The molecular formula of Pulchelloside I is C17H26O12.
What is the molecular weight of Pulchelloside I?
The molecular weight of Pulchelloside I is 422.14 g/mol.
Where can I buy Pulchelloside I?
You can request a quote for Pulchelloside I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pulchelloside I?
Yes, KEHONG BIO provides custom synthesis services for Pulchelloside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.