Analyte Name

Daunorubicin 4'-O-alpha-D-Glucoside Sodium Salt

CAS Number

229314-76-5

Molecular Formula

C33 H36 N Na O16

Molecular Weight

725.626

Accurate Mass

725.193

SMILES

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5CC(N)[C@@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O[Na])[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C

InChI

InChI=1S/C33H37NO16.Na/c1-10-29(49-32-28(42)26(40)27(41)30(50-32)31(43)44)14(34)7-17(47-10)48-16-9-33(45,11(2)35)8-13-19(16)25(39)21-20(23(13)37)22(36)12-5-4-6-15(46-3)18(12)24(21)38;/h4-6,10,14,16-17,26-30,32,37,39-42,45H,7-9,34H2,1-3H3,(H,43,44);/q;+1/p-1/t10-,14?,16-,17-,26-,27-,28+,29-,30-,32-,33-;/m0./s1

IUPAC

[(2S,3S,4S,5R,6S)-6-[(2S,3R,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-amino-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat