N,N-Dimethyladriamycin

CAS

94730-44-6

Catalog Number

ACM94730446

Category

Other Products

Molecular Weight

571.5724

Molecular Formula

C₂₉H₃₃NO₁₁

MSDS COA Spec Sheet

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Specification

IUPAC Name

(9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Canonical SMILES

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N(C)C)O

InChI Key

DJEFXYVVRUAFEB-SXPDSNDQSA-N

Density

1.53g/cm³

What is the molecular formula of N,N-Dimethyladriamycin?

The molecular formula of N,N-Dimethyladriamycin is C29H33NO11.

What are some synonyms for N,N-Dimethyladriamycin?

Some synonyms for N,N-Dimethyladriamycin include 70222-95-6, (9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, and CCRIS 2258.

What is the molecular weight of N,N-Dimethyladriamycin?

The molecular weight of N,N-Dimethyladriamycin is 571.6 g/mol.

When was N,N-Dimethyladriamycin first created and when was it last modified?

N,N-Dimethyladriamycin was first created on August 8, 2005, and was last modified on December 30, 2023.

What is the IUPAC name of N,N-Dimethyladriamycin?

The IUPAC name of N,N-Dimethyladriamycin is (9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.

What is the InChIKey of N,N-Dimethyladriamycin?

The InChIKey of N,N-Dimethyladriamycin is DJEFXYVVRUAFEB-SXPDSNDQSA-N.

How many hydrogen bond donor counts does N,N-Dimethyladriamycin have?

N,N-Dimethyladriamycin has 5 hydrogen bond donor counts.

What is the heavy atom count of N,N-Dimethyladriamycin?

The heavy atom count of N,N-Dimethyladriamycin is 41.

How many rotatable bond counts does N,N-Dimethyladriamycin have?

N,N-Dimethyladriamycin has 6 rotatable bond counts.

What is the topological polar surface area of N,N-Dimethyladriamycin?

The topological polar surface area of N,N-Dimethyladriamycin is 183 Å2.

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