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2-{[6-(3-aminopropoxy)-5-acetamido-3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

2-{[6-(3-aminopropoxy)-5-acetamido-3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Formula: C28H49N3O19

SMILES: CC(=O)NC1C(O)CC(OCC2OC(OCCCN)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(OC1C(O)C(O)CO)C(O)=O

IUPAC: 2-{[6-(3-aminopropoxy)-5-acetamido-3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

InChI: InChI=1/C28H49N3O19/c1-10(34)30-16-12(36)6-28(27(43)44,50-24(16)18(38)13(37)7-32)46-9-15-20(40)23(17(31-11(2)35)25(48-15)45-5-3-4-29)49-26-22(42)21(41)19(39)14(8-33)47-26/h12-26,32-33,36-42H,3-9,29H2,1-2H3,(H,30,34)(H,31,35)(H,43,44)

Composition: C (45.96%), H (6.75%), N (5.74%), O (41.54%)

Molar Mass: 731.702

Atom Count: 99

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 16
Exact Mass 731.29602637
Formal Charge 0
FSP3 0.89
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 20
Hydrogen Bond Donor Count 13
InChIKey MUJHUJDGCIOADN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 157.28
Topological Polar Surface Area 358.97
Polarizability 65.12
Ring Count 3
Rotatable Bond Count 16

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Purity (%)
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Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C28H49N3O19 Quote Only