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Structure

Tubulysin a,tuba

CAS
205304-86-5
Catalog Number
ACM205304865
Category
Other Products
Molecular Weight
0
Molecular Formula
C43H65N5O10S

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Specification

Synonyms
TubA;Tubulysin A;Tubulysin A,TubA;Tubulysins A
Hazard Statements
T
Safety Description
36/37-45
Supplemental Hazard Statements
H301-H311-H315-H319-H331-H335
Symbol
GHS06
What is the molecular formula of Tubulysin A?

The molecular formula of Tubulysin A is C43H65N5O10S.

When was Tubulysin A created and last modified in the database?

Tubulysin A was created on February 7, 2007, and last modified on December 30, 2023.

What is the molecular weight of Tubulysin A?

The molecular weight of Tubulysin A is 844.1 g/mol.

What is the IUPAC name of Tubulysin A?

The IUPAC name of Tubulysin A is (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid.

What is the InChIKey of Tubulysin A?

The InChIKey of Tubulysin A is IBEDDHUHZBDXGB-OEJISELMSA-N.

What is the Canonical SMILES of Tubulysin A?

The Canonical SMILES of Tubulysin A is CCC(C)C(C(=O)N(COC(=O)CC(C)C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)O)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C.

What is the CAS number of Tubulysin A?

The CAS number of Tubulysin A is 205304-86-5.

What is the XLogP3-AA value of Tubulysin A?

The XLogP3-AA value of Tubulysin A is 4.7.

How many hydrogen bond donor counts are present in Tubulysin A?

Tubulysin A has 4 hydrogen bond donor counts.

What is the topological polar surface area of Tubulysin A?

The topological polar surface area of Tubulysin A is 233 Ų.

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