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N-(2-{[2-({4-[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-[(5-acetamido-6-{[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxyoxan-2-yl}methoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide

N-(2-{[2-({4-[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-[(5-acetamido-6-{[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxyoxan-2-yl}methoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide

Formula: C57H90N4O37

SMILES: COC1=CC=C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(COC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5NC(C)=O)C(O)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5NC(C)=O)C4O)C(O)C3NC(C)=O)C(O)C2NC(C)=O)C=C1

IUPAC: N-(2-{[2-({4-[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-[(5-acetamido-6-{[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxyoxan-2-yl}methoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide

InChI: InChI=1/C57H90N4O37/c1-17(68)58-30-39(77)34(72)23(10-62)87-52(30)97-49-43(81)36(74)25(12-64)89-56(49)85-16-29-38(76)48(96-57-50(44(82)37(75)26(13-65)90-57)98-53-31(59-18(2)69)40(78)35(73)24(11-63)88-53)45(83)55(93-29)95-47-28(15-67)92-54(33(42(47)80)61-20

Composition: C (48.10%), H (6.37%), N (3.94%), O (41.59%)

Molar Mass: 1423.338

Atom Count: 188

Heavy Atom Count: 98

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 35
Exact Mass 1422.528389854
Formal Charge 0
FSP3 0.82
Hetero Ring Count 7
Hydrogen Bond Acceptor Count 37
Hydrogen Bond Donor Count 22
InChIKey SEUQKNZDLQCZDP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 305.53
Topological Polar Surface Area 618.99
Polarizability 127
Ring Count 8
Rotatable Bond Count 26

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Purity LeadTime Formula UnitPrice
98% <14 Days C57H90N4O37 Quote Only