DATNN
TL;DR: DATNN (CAS 109485-63-4) is a chemical compound with molecular formula C33H42ClNO9 and molecular weight 631.2548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
十一甲基壬烷
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-nonanoyl-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: DATNN, Undecane,2,2,4,4,6,6,8,8,10-nonamethyl, 4 O-Daunosaminyl-2,4,5,12-tetrahydroxy-2-nonanoyl-1,2,3,4-tetrahydro-6,11-naphthacenedione, 7-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(1-oxononyl)-5,12-naphthacenedione hydrochloride, (7S-cis)-, 3,5,12-Trihydroxy-3-nonanoyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C33H42ClNO9 |
| Molecular Weight | 631.2548 g/mol |
| XLogP | 4.1728 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 631.2548 Da |
| Heavy Atoms | 44 |
| Complexity | 1020.0 |
| SMILES | CCCCCCCCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)OC5CC(C(C(O5)C)O)N)O.Cl |
| InChIKey | HHEARFGBTJAFSA-UHFFFAOYSA-N |
Chemical Property Profile of DATNN
Property Insights of DATNN
The XLogP value of 4.1728 indicates that DATNN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting DATNN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DATNN has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of DATNN?
The CAS number of DATNN is 109485-63-4.
What is the molecular formula of DATNN?
The molecular formula of DATNN is C33H42ClNO9.
What is the molecular weight of DATNN?
The molecular weight of DATNN is 631.2548 g/mol.
Where can I buy DATNN?
You can request a quote for DATNN directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for DATNN?
Yes, CoreyChem provides custom synthesis services for DATNN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.