Nsc 45109

• CAS: 4068-87-5
• Catalog Number: ACM4068875
• Category: Other Products
• Molecular Weight: 0
• Molecular Formula: C₇H₁₂O₆
• Synonyms: 2-C-Methylene-myo-inositol oxide;2-o,C-Methylene-myo-inositol;2-o-Methylenemyoinositol;Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, myo- (8ci);Myo-inositol, 2,21-anhydro-2-C-(hydroxymethyl)- (9ci);Nsc 45109;myo-Inositol, 2,2′-anhydro-2-C-hydroxymethyl

Custom Q&A

What is the molecular formula of the compound mentioned in the reference?

The molecular formula is C7H12O6.

What is the molecular weight of the compound?

The molecular weight is 192.17 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (4S,5R,7S,8R)-1-oxaspiro[2.5]octane-4,5,6,7,8-pentol.

What is the InChIKey of the compound?

The InChIKey is AWCFPDQAULWFNH-MVWKSXLKSA-N.

How many hydrogen bond donor counts are there in the compound?

There are 5 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is -3.6.

How many rotatable bond counts are there in the compound?

There are 0 rotatable bond counts.

What is the exact mass of the compound?

The exact mass is 192.06338810 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area is 114 Å2.

Is the compound canonicalized?

Yes, the compound is canonicalized.