CAS
98700-50-6 Purity
96%
98700-50-6 Purity
96%
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Demecycline
CAS
987-02-0
Catalog Number
ACM987020
Category
Other Products
Molecular Formula
C21H22N2O8
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What is the molecular formula of Demecycline?
The molecular formula of Demecycline is C21H22N2O8.
When was Demecycline created and modified in PubChem?
Demecycline was created on 2011-12-26 and modified on 2023-12-30 in PubChem.
What is the IUPAC name of Demecycline?
The IUPAC name of Demecycline is (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.
What is the Canonical SMILES of Demecycline?
The Canonical SMILES of Demecycline is CN(C)C1C2CC3C(C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O.
How many hydrogen bond donor counts are there in Demecycline?
There are 6 hydrogen bond donor counts in Demecycline.
What is the XLogP3-AA value of Demecycline?
The XLogP3-AA value of Demecycline is 0.1.
What is the topological polar surface area of Demecycline?
The topological polar surface area of Demecycline is 182 Å^2.
How many defined atom stereocenters are present in Demecycline?
There are 5 defined atom stereocenters in Demecycline.
What is the molecular weight of Demecycline?
The molecular weight of Demecycline is 430.4 g/mol.
What is the InChIKey of Demecycline?
The InChIKey of Demecycline is RMVMLZHPWMTQGK-SOUFLCLCSA-N.
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