Products for Research Use Only
RegisterLogin

Epirubicinol

CAT: 0024-sc-353278Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-353278Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
76155-56-1

Chemical Information

Epirubicinol
CAS Number76155-56-1
PubChem CID127118
IUPAC Name(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC27H31NO11
Molecular Weight545.5
XLogP1.3
Topological Polar Surface Area209
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity935
SMILES
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)([C@H](CO)O)O)N)O
InChI
InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22-,27-/m0/s1
InChIKey
NKZRZOVSJNSBFR-QXAZHNFISA-N
Chemical Structure
2D Structure
2D structure of Epirubicinol
CAS: 76155-56-1
CID: 127118
Formula: C27H31NO11
MW: 545.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight545.5
XLogP31.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass545.18971080
Monoisotopic Mass545.18971080
Topological Polar Surface Area209 Ų
Heavy Atom Count39
Formal Charge0
Complexity935
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-279016Epirubicin
sc-203041Epirubicin Hydrochloride
sc-203041AEpirubicin Hydrochloride
sc-203041BEpirubicin Hydrochloride
sc-499214Epirubicin Glucuronide Sodium Salt (α/β mixture)

Alternative Products

CatalogName
HY-W741181-01Epirubicinol
TRC-E588655-10MGEpirubicinol (Mixture of Diastereomers)
448333Epirubicinol Hydrochloride (Mixture of Diastereomers)

Popular Products