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Structure

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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