Doxorubicin Impurity 16

CAT: 1299-RM-D240316-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D240316-01Size:10 mg

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CAS Number

1159977-24-8

Synonyms

6,8,10,11-tetrahydroxy-1-methoxytetracene-5,12-dione

Molecular Formula

C19H12O7

Molecular Weight

352.29

Target Alternative Name

Doxorubicin

Product Name Synonym

6,8,10,11-tetrahydroxy-1-methoxytetracene-5,12-dione

Chemical Information

1,3,6,11-Tetrahydroxy-10-methoxytetracene-5,12-dione

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CAS Number	1159977-24-8
PubChem CID	46781109
IUPAC Name	1,3,6,11-tetrahydroxy-10-methoxytetracene-5,12-dione
Molecular Formula	C19H12O7
Molecular Weight	352.3
XLogP	3.8
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	26
Formal Charge	0
Complexity	592

SMILES

COC1=CC=CC2=C1C(=C3C(=C2O)C(=O)C4=C(C3=O)C(=CC(=C4)O)O)O

InChI

InChI=1S/C19H12O7/c1-26-11-4-2-3-8-13(11)19(25)15-14(16(8)22)17(23)9-5-7(20)6-10(21)12(9)18(15)24/h2-6,20-22,25H,1H3

InChIKey

UWWVMUSJXQWJOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1159977-24-8

CID: 46781109

Formula: C19H12O7

MW: 352.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	352.3
XLogP3	3.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	352.05830272
Monoisotopic Mass	352.05830272
Topological Polar Surface Area	124 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	592
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes