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Desmethyl Doxorubicin

CAT: 1299-RM-D240314-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D240314-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69401-50-9
Synonyms
(8S,10S) -10- (((2R,4S,5S,6S) -4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -1,6,8,11-tetrahydroxy-8- (2-hydroxyacetyl) -7,8,9,10-tetrahydrotetracene-5,12-dione
Molecular Formula
C26H27NO11
Molecular Weight
529.49
Target Alternative Name
Doxorubicin
Product Name Synonym
(8S,10S) -10- (((2R,4S,5S,6S) -4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -1,6,8,11-tetrahydroxy-8- (2-hydroxyacetyl) -7,8,9,10-tetrahydrotetracene-5,12-dione

Chemical Information

7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
CAS Number69401-50-9
PubChem CID153208
IUPAC Name7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC26H27NO11
Molecular Weight529.5
XLogP0.9
Topological Polar Surface Area217
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity961
SMILES
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)CO)O)N)O
InChI
InChI=1S/C26H27NO11/c1-9-21(31)12(27)5-16(37-9)38-14-7-26(36,15(30)8-28)6-11-18(14)25(35)20-19(23(11)33)22(32)10-3-2-4-13(29)17(10)24(20)34/h2-4,9,12,14,16,21,28-29,31,33,35-36H,5-8,27H2,1H3
InChIKey
XELCDTXCWBAMFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
CAS: 69401-50-9
CID: 153208
Formula: C26H27NO11
MW: 529.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.5
XLogP30.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass529.15841068
Monoisotopic Mass529.15841068
Topological Polar Surface Area217 Ų
Heavy Atom Count38
Formal Charge0
Complexity961
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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RM-D240350-01Doxorubicin Impurity 50
RM-D240411-01Doxorubicin Impurity 53
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RM-D240334-01Doxorubicin Impurity 34
RM-D240331-01Doxorubicin Impurity 31
RM-D240345-01Doxorubicin Impurity 45
RM-D240351-01Doxorubicin Impurity 51
RM-D240333-01Doxorubicin Impurity 33
RM-D240336-01Doxorubicin Impurity 36

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