CAS
96507-85-6 Purity
96%
96507-85-6 Purity
96%
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5,6-Dihydro-5-hydroxy-6-(3,4,6,13-tetrahydroxy-3-methyl-1,7,9,11-tridecatetrenyl)-2H-pyran-2-one
CAS
96513-88-1
Catalog Number
ACM96513881
Category
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What is the molecular formula of 5,6-Dihydro-5-hydroxy-6-(3,4,6,13-tetrahydroxy-3-methyl-1,7,9,11-tridecatetrenyl)-2H-pyran-2-one?
The molecular formula is C19H26O7.
When was the compound first created?
The compound was first created on December 5, 2007.
What is the molecular weight of 5,6-Dihydro-5-hydroxy-6-(3,4,6,13-tetrahydroxy-3-methyl-1,7,9,11-tridecatetrenyl)-2H-pyran-2-one?
The molecular weight is 366.4 g/mol.
How many hydrogen bond donor counts are there in the compound?
There are 5 hydrogen bond donor counts in the compound.
What is the Canonical SMILES of 5,6-Dihydro-5-hydroxy-6-(3,4,6,13-tetrahydroxy-3-methyl-1,7,9,11-tridecatetrenyl)-2H-pyran-2-one?
The Canonical SMILES is CC(C=CC1C(C=CC(=O)O1)O)(C(CC(C=CC=CC=CCO)O)O)O.
How many topological polar surface areas does the compound have?
The compound has a topological polar surface area of 127?2.
What is the InChIKey of 5,6-Dihydro-5-hydroxy-6-(3,4,6,13-tetrahydroxy-3-methyl-1,7,9,11-tridecatetrenyl)-2H-pyran-2-one?
The InChIKey is ZZBCQJHKWIUXQK-IGICQAMHSA-N.
How many defined bond stereocenter counts are there in the compound?
There are 4 defined bond stereocenter counts in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of 5,6-Dihydro-5-hydroxy-6-(3,4,6,13-tetrahydroxy-3-methyl-1,7,9,11-tridecatetrenyl)-2H-pyran-2-one?
The XLogP3-AA value is -0.5.
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