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N-[6-({6-[(6-{3-[(2,4-dinitrophenyl)amino]propoxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]-2-(methylamino)benzamide

N-[6-({6-[(6-{3-[(2,4-dinitrophenyl)amino]propoxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]-2-(methylamino)benzamide

Formula: C51H75N7O30

SMILES: CNC1=CC=CC=C1C(=O)NC1C(COC2OC(CO)C(O)C(O)C2O)OC(OC2C(O)C(NC(C)=O)C(OC3C(O)C(NC(C)=O)C(OCCCNC4=C(C=C(C=C4)[N+]([O-])=O)[N+]([O-])=O)OC3CO)OC2CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

IUPAC: N-[6-({6-[(6-{3-[(2,4-dinitrophenyl)amino]propoxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]-2-(methylamino)benzamide

InChI: InChI=1/C51H75N7O30/c1-19(63)54-32-36(67)43(28(16-61)83-47(32)79-12-6-11-53-24-10-9-21(57(75)76)13-25(24)58(77)78)86-48-33(55-20(2)64)37(68)44(29(17-62)84-48)87-51-42(73)45(88-50-41(72)39(70)35(66)27(15-60)82-50)31(56-46(74)22-7-4-5-8-23(22)52-3)30(85-51)

Composition: C (48.38%), H (5.97%), N (7.74%), O (37.91%)

Molar Mass: 1266.18

Atom Count: 163

Heavy Atom Count: 88

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 25
Exact Mass 1265.455834043
Formal Charge 0
FSP3 0.71
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 32
Hydrogen Bond Donor Count 18
InChIKey YURQCTGINGDTNY-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 286.29
Topological Polar Surface Area 552.93
Polarizability 113.7
Ring Count 7
Rotatable Bond Count 26

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Purity LeadTime Formula UnitPrice
98% <14 Days C51H75N7O30 Quote Only