(2R,3S,4R,5R,6R,11S,13S,14R)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylic ac

Molecule structure of Dis-nogalamycinic acid (CAS NO.64267-45-4) :

Molecular Weight: 773.77688 g/mol
Molecular Formula: C₃₈H₄₇NO₁₆ 
Density: 1.54 g/cm³ 
Boiling Point: 938.5 °C at 760 mmHg 
Flash Point: 521.4 °C
Index of Refraction: 1.667
Molar Refractivity: 187.02 cm³
Molar Volume: 502.2 cm³
Polarizability: 74.14*10^-24 cm³
Surface Tension: 82.2 dyne/cm 
Enthalpy of Vaporization: 143.05 kJ/mol
XLogP3-AA: -1.6
H-Bond Donor: 6
H-Bond Acceptor: 17
Rotatable Bond Count: 7
Tautomer Count: 63
Exact Mass: 773.289484
MonoIsotopic Mass: 773.289484
Topological Polar Surface Area: 240
Heavy Atom Count: 55
Complexity: 1520
Defined Atom StereoCenter Count: 13 
Canonical SMILES: CC1C(C(C(C(O1)OC2CC(C(C3=C2C(=C4C(=C3)C(=O)C5=C6C(=CC(=C5C4=O)O)C7(C(C(C
(C(O6)O7)O)N(C)C)O)C)O)C(=O)O)(C)O)OC)(C)OC)OC
Isomeric SMILES: C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=C2C(=C4C(=C3)C(=O)C5=C6C(=CC(=C5C4=O)O)[C@@]7([C@@H]([C@H]([C@@H]([C@H](O6)O7)O)N(C)
C)O)C)O)C(=O)O)(C)O)OC)(C)OC)OC
InChI: InChI=1S/C38H47NO16/c1-13-31(49-7)38(4,51-9)32(50-8)35(52-13)53-18-12-36(2,48)23(33(46)47)14-10-15-20(26(42)19(14)18)27(43)21-17(40)11-16-29(22(21)25(15)41)54-34-28(44)24(39(5)6)30(45)37(16,3)55-34/h10-11,13,18,23-24,28,30-32,34-35,40,42,44-45,48H,12H2,1-9H3,(H,46,47)/t13-,18-,23-,24-,28-,30+,31-,32-,34+,35-,36-,37+,38+/m0/s1
InChIKey of Dis-nogalamycinic acid (CAS NO.64267-45-4) : HPSWLXWDFWBBLR-YFICQLNDSA-N

Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.

 Dis-nogalamycinic acid (CAS NO.64267-45-4) is also called 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alph-L-mannopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, (2R-(2alpha,3beta,4alph,5beta,6alpha,11beta,13alpha,14alpha))- ; 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 3,4,5,6,9,11,12,13,14,16-decahydro-11-((6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, (2-alpha,3-beta,4-alpha,5-beta,6-alpha,11-beta,13-alpha,14-alpha)-(+)- .