5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid

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CAS
93941-99-2
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Purity
96%
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Catalog Number

ACM93941992

Product Name

5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid

Structure

Structure

CAS

93941-99-2

Category

Heterocyclic Organic Compound

Synonyms

EINECS 300-548-3, CID3023009, 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulphonic acid, 93941-99-2

IUPAC Name

5,8-diamino-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracene-1-sulfonic acid

Molecular Weight

590.600440 [g/mol]

Molecular Formula

C₃₀H₂₆N₂O₉S

Canonical SMILES

C1=CC=C(C=C1)OCCOC2=C(C3=C(C(=C2OCCOC4=CC=CC=C4)N)C(=O)C5=C(C3=O)C=CC=C5S(=O)(=O)O)N

InChI Key

YUTSNTYEOVRNGJ-UHFFFAOYSA-N

Density

1.461g/cm³

EC Number

300-548-3

Exact Mass

590.13600

H-Bond Acceptor

11

H-Bond Donor

3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid?

The molecular formula is C30H26N2O9S.

What is the molecular weight of 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid?

The molecular weight is 590.6 g/mol.

When was the compound first created?

The compound was first created on August 8, 2005.

What is the InChIKey of 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid?

The InChIKey is YUTSNTYEOVRNGJ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

It has 3 hydrogen bond donor counts.

What is the XLogP3-AA value of 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid?

The XLogP3-AA value is 4.6.

What is the topological polar surface area of the compound?

The topological polar surface area is 186 Å2.

How many rotatable bond counts does the compound have?

It has 11 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the formal charge of 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid?

The formal charge is 0.

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