5-[(2-Aminoethyl)amino]-1,3-diazido-1,2,3,5-tetradeoxy-4-O-(2,6-Diazido-2,6-Dideoxy-d-glucopyranosyl)-d-myo-inositol

CAS

948916-23-2

Catalog Number

ACM948916232

Category

Other Products

MSDS COA Spec Sheet

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What is the molecular formula of the compound referenced?

The molecular formula of the compound is C14H24N14O5.

Can you provide any synonyms for the compound?

Yes, the compound is also known as 5-[(2-Aminoethyl)amino]-1,3-diazido-1,2,3,5-tetradeoxy-4-O-(2,6-Diazido-2,6-Dideoxy-d-glucopyranosyl)-d-myo-inositol.

What is the molecular weight of the compound?

The molecular weight of the compound is 468.43 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (2R,3R,4R,6R)-6-[(1S,2S,3R)-2-(2-aminoethylamino)-4,6-diazido-3-hydroxycyclohexyl]oxy-5-azido-2-(azidomethyl)oxane-3,4-diol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C14H24N14O5/c15-1-2-20-8-10(29)5(22-26-17)3-6(23-27-18)13(8)33-14-9(24-28-19)12(31)11(30)7(32-14)4-21-25-16/h5-14,20,29-31H,1-4,15H2/t5?,6?,7-,8+,9?,10+,11+,12-,13-,14+/m1/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is OLUJAHRTBSOPOF-HLCFOCOQSA-N.

What are the canonical SMILES of the compound?

The canonical SMILES of the compound is C1C(C(C(C(C1N=[N+]=[N-])OC2C(C(C(C(O2)CN=[N+]=[N-])O)O)N=[N+]=[N-])NCCN)O)N=[N+]=[N-].

How many hydrogen bond donor counts does the compound have?

The compound has 5 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 15 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 10 rotatable bond counts.

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