1-deoxy-D-manno-heptulose
TL;DR: 1-deoxy-D-manno-heptulose (CAS 39658-41-8) is a chemical compound with molecular formula C7H14O6 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxyheptan-2-one
Also Known As: methylmannose, methyl mannose, 1-Deoxy-D-manno-heptulose, 1-Deoxyhept-2-ulose, 1-deoxy-d-manno-hept-2-ulose
| Molecular Formula | C7H14O6 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.07904 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 39658-41-8 |
|---|---|
| SMILES | CC(=O)[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| InChIKey | OUSKVHOYPHDTIA-DBRKOABJSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-deoxy-D-manno-heptulose (CAS 39658-41-8), with molecular formula C7H14O6 and molecular weight 194.08 g/mol. IUPAC: (3S,4S,5R,6R)-3,4,5,6,7-pentahydroxyheptan-2-one.
Chemical Property Profile of 1-deoxy-D-manno-heptulose
Property Insights of 1-deoxy-D-manno-heptulose
The XLogP value of -3.2 indicates that 1-deoxy-D-manno-heptulose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-deoxy-D-manno-heptulose. Following Lipinski's Rule of Five, 1-deoxy-D-manno-heptulose has 5 hydrogen bond donor(s) and 6 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 1-deoxy-D-manno-heptulose?
The CAS number of 1-deoxy-D-manno-heptulose is 39658-41-8.
What is the molecular formula of 1-deoxy-D-manno-heptulose?
The molecular formula of 1-deoxy-D-manno-heptulose is C7H14O6.
What is the molecular weight of 1-deoxy-D-manno-heptulose?
The molecular weight of 1-deoxy-D-manno-heptulose is 194.08 g/mol.
Where can I buy 1-deoxy-D-manno-heptulose?
You can request a quote for 1-deoxy-D-manno-heptulose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-deoxy-D-manno-heptulose?
Yes, KEHONG BIO provides custom synthesis services for 1-deoxy-D-manno-heptulose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.