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2-[(2-acetamido-4-{[3-acetamido-5-({4-[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-{[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-3,5-dihydroxyoxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexyl)amino]benzamide

2-[(2-acetamido-4-{[3-acetamido-5-({4-[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-{[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-3,5-dihydroxyoxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexyl)amino]benzamide

Formula: C63H102N6O40

SMILES: CC1OC(OCC(O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C(O)C(CNC2=CC=CC=C2C(N)=O)NC(C)=O)C(O)C(O)C1O

IUPAC: 2-[(2-acetamido-4-{[3-acetamido-5-({4-[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-{[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-3,5-dihydroxyoxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexyl)amino]benzamide

InChI: InChI=1/C63H102N6O40/c1-18-36(80)46(90)49(93)60(98-18)96-16-26(79)51(37(81)25(66-19(2)75)10-65-24-9-7-6-8-23(24)56(64)95)105-59-35(69-22(5)78)45(89)52(31(15-74)103-59)106-61-50(94)53(107-63-55(48(92)41(85)30(14-73)102-63)109-58-34(68-21(4)77)44(88)39(83)2

Composition: C (47.79%), H (6.49%), N (5.31%), O (40.41%)

Molar Mass: 1583.511

Atom Count: 211

Heavy Atom Count: 109

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 39
Exact Mass 1582.613182108
Formal Charge 0
FSP3 0.83
Hetero Ring Count 7
Hydrogen Bond Acceptor Count 41
Hydrogen Bond Donor Count 27
InChIKey ILUMXYHMNSZLKL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 345.23
Topological Polar Surface Area 725.57
Polarizability 141.55
Ring Count 8
Rotatable Bond Count 32

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Purity LeadTime Formula UnitPrice
98% <14 Days C63H102N6O40 Quote Only