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N-{2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl}acetamide

N-{2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl}acetamide

CAS: 197526-33-3

Formula: C32H48N2O23

SMILES: CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(CO)OC(OC2C(O)C(O)C(OC3=CC=C(C=C3)[N+]([O-])=O)OC2CO)C1O

IUPAC: N-{2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl}acetamide

InChI: InChI=1/C32H48N2O23/c1-10(39)33-17-20(42)26(55-31-23(45)21(43)18(40)13(6-35)51-31)15(8-37)53-29(17)57-28-19(41)14(7-36)52-32(25(28)47)56-27-16(9-38)54-30(24(46)22(27)44)50-12-4-2-11(3-5-12)34(48)49/h2-5,13-32,35-38,40-47H,6-9H2,1H3,(H,33,39)

Composition: C (46.38%), H (5.84%), N (3.38%), O (44.40%)

Molar Mass: 828.727

Atom Count: 105

Heavy Atom Count: 57

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 20
Exact Mass 828.264785814
Formal Charge 0
FSP3 0.78
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 23
Hydrogen Bond Donor Count 13
InChIKey UVJJUCUTPFYZNV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 174.85
Topological Polar Surface Area 388.84
Polarizability 72.33
Ring Count 5
Rotatable Bond Count 14

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Purity LeadTime CAS UnitPrice
98% <14 Days 197526-33-3 Quote Only