3,4,5,6,7-Pentahydroxyoxocan-2-one
TL;DR: 3,4,5,6,7-Pentahydroxyoxocan-2-one (CAS 34839-78-6) is a chemical compound with molecular formula C7H12O7 and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6,7-pentahydroxyoxocan-2-one
Also Known As: 3,4,5,6,7-pentahydroxyoxocan-2-one, 3,4,5,6,7-Pentahydroxy-oxocan-2-one, 3,4,5,6,7-pentahydroxyoxocan-2-one (non-preferred name)
| Molecular Formula | C7H12O7 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.0583 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 34839-78-6 |
|---|---|
| SMILES | C1C(C(C(C(C(C(=O)O1)O)O)O)O)O |
| InChIKey | MIENLRXEHUAIDH-UHFFFAOYSA-N |
Product Overview
3,4,5,6,7-Pentahydroxyoxocan-2-one (CAS 34839-78-6), with molecular formula C7H12O7 and molecular weight 208.06 g/mol. IUPAC: 3,4,5,6,7-pentahydroxyoxocan-2-one.
Chemical Property Profile of 3,4,5,6,7-Pentahydroxyoxocan-2-one
Property Insights of 3,4,5,6,7-Pentahydroxyoxocan-2-one
The XLogP value of -3.2 indicates that 3,4,5,6,7-Pentahydroxyoxocan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5,6,7-Pentahydroxyoxocan-2-one. Following Lipinski's Rule of Five, 3,4,5,6,7-Pentahydroxyoxocan-2-one has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,5,6,7-Pentahydroxyoxocan-2-one?
The CAS number of 3,4,5,6,7-Pentahydroxyoxocan-2-one is 34839-78-6.
What is the molecular formula of 3,4,5,6,7-Pentahydroxyoxocan-2-one?
The molecular formula of 3,4,5,6,7-Pentahydroxyoxocan-2-one is C7H12O7.
What is the molecular weight of 3,4,5,6,7-Pentahydroxyoxocan-2-one?
The molecular weight of 3,4,5,6,7-Pentahydroxyoxocan-2-one is 208.06 g/mol.
Where can I buy 3,4,5,6,7-Pentahydroxyoxocan-2-one?
You can request a quote for 3,4,5,6,7-Pentahydroxyoxocan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6,7-Pentahydroxyoxocan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6,7-Pentahydroxyoxocan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.