Heptosyl-2-keto-3-deoxyoctonate
TL;DR: Heptosyl-2-keto-3-deoxyoctonate (CAS 101769-91-9) is a chemical compound with molecular formula C15H24O14 and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,5-trihydroxy-7,8-dioxooctanoic acid
Also Known As: Heptosyl-2-keto-3-deoxyoctonate, Heptosyl-2-keto-3-deoxyoctulosonate, 3-deoxy-5-O-heptopyranosyloct-2-ulosuronic acid, 4-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,5-trihydroxy-7,8-dioxooctanoic acid, D-manno-Octos-2-ulosuronic acid, 3-deoxy-5-O-((6xi)-alpha-D-manno-heptopyranosyl)-
| Molecular Formula | C15H24O14 |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 428.1166 |
| Heavy Atoms | 29 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 101769-91-9 |
|---|---|
| SMILES | C(C(C(C(C(C(=O)O)O)O)OC1C(C(C(C(O1)C(CO)O)O)O)O)O)C(=O)C=O |
| InChIKey | NLPZLDGWKNBZLH-UHFFFAOYSA-N |
Product Overview
Heptosyl-2-keto-3-deoxyoctonate (CAS 101769-91-9), with molecular formula C15H24O14 and molecular weight 428.12 g/mol. IUPAC: 4-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,5-trihydroxy-7,8-dioxooctanoic acid.
Chemical Property Profile of Heptosyl-2-keto-3-deoxyoctonate
Property Insights of Heptosyl-2-keto-3-deoxyoctonate
The XLogP value of -5.6 indicates that Heptosyl-2-keto-3-deoxyoctonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 252.0 Ų indicates high polarity, suggesting Heptosyl-2-keto-3-deoxyoctonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heptosyl-2-keto-3-deoxyoctonate has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptosyl-2-keto-3-deoxyoctonate?
The CAS number of Heptosyl-2-keto-3-deoxyoctonate is 101769-91-9.
What is the molecular formula of Heptosyl-2-keto-3-deoxyoctonate?
The molecular formula of Heptosyl-2-keto-3-deoxyoctonate is C15H24O14.
What is the molecular weight of Heptosyl-2-keto-3-deoxyoctonate?
The molecular weight of Heptosyl-2-keto-3-deoxyoctonate is 428.12 g/mol.
Where can I buy Heptosyl-2-keto-3-deoxyoctonate?
You can request a quote for Heptosyl-2-keto-3-deoxyoctonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptosyl-2-keto-3-deoxyoctonate?
Yes, KEHONG BIO provides custom synthesis services for Heptosyl-2-keto-3-deoxyoctonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.