Aculeacin afrom aspergillus aculeatus

CAS

58814-86-1

Catalog Number

ACM58814861

Category

Other Products

Molecular Weight

1036.22

Molecular Formula

C₅₀H₈₁N₇O₁₆

MSDS COA Spec Sheet

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Specification

Synonyms

aculeacina;aculeacins;ACULEACIN AFROM ASPERGILLUS ACULEATUS

What is the molecular formula of Aculeacin A?

The molecular formula of Aculeacin A is C50H81N7O16.

What is the molecular weight of Aculeacin A?

The molecular weight of Aculeacin A is 1036.2 g/mol.

What is the IUPAC name of Aculeacin A?

The IUPAC name of Aculeacin A is N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.0 9,13]heptacosan-18-yl]hexadecanamide.

What is the Canonical SMILES representation of Aculeacin A?

The Canonical SMILES representation of Aculeacin A is CCCCCCCCCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(C)O)C)O)O)O.

What is the InChIKey of Aculeacin A?

The InChIKey of Aculeacin A is YKPHLXGEPNYRPY-ZIUFDZNVSA-N.

How many hydrogen bond donor counts does Aculeacin A have?

Aculeacin A has 14 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Aculeacin A have?

Aculeacin A has 16 hydrogen bond acceptor counts.

What is the topological polar surface area of Aculeacin A?

The topological polar surface area of Aculeacin A is 368 Å2.

What is the formal charge of Aculeacin A?

The formal charge of Aculeacin A is 0.

How many rotatable bond counts does Aculeacin A have?

Aculeacin A has 20 rotatable bond counts.