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3-{[4-({6-carboxy-5-[(4-{[6-carboxy-5-({4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

3-{[4-({6-carboxy-5-[(4-{[6-carboxy-5-({4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

Formula: C56H86N4O45

SMILES: CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(C(OC2OC(CO)C(O)C(OC3OC(C(OC4OC(CO)C(O)C(OC5OC(C(OC6OC(CO)C(O)C(OC7OC(C(O)C(O)C7O)C(O)=O)C6NC(C)=O)C(O)C5O)C(O)=O)C4NC(C)=O)C(O)C3O)C(O)=O)C2NC(C)=O)C(O)C1O)C(O)=O

IUPAC: 3-{[4-({6-carboxy-5-[(4-{[6-carboxy-5-({4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

InChI: InChI=1/C56H86N4O45/c1-9(65)57-17-34(21(69)13(5-61)91-49(17)90)95-54-31(79)27(75)38(42(103-54)46(84)85)99-51-19(59-11(3)67)36(23(71)15(7-63)93-51)97-56-33(81)29(77)40(44(105-56)48(88)89)101-52-20(60-12(4)68)37(24(72)16(8-64)94-52)98-55-32(80)28(76)39(43(1

Composition: C (43.81%), H (5.65%), N (3.65%), O (46.89%)

Molar Mass: 1535.287

Atom Count: 191

Heavy Atom Count: 105

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 40
Exact Mass 1534.456406685
Formal Charge 0
FSP3 0.86
Hetero Ring Count 8
Hydrogen Bond Acceptor Count 45
Hydrogen Bond Donor Count 26
InChIKey DXBZDSFYXXFGFP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 306.69
Topological Polar Surface Area 768.19
Polarizability 128.96
Ring Count 8
Rotatable Bond Count 26

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Purity LeadTime Formula UnitPrice
98% <14 Days C56H86N4O45 Quote Only