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5-amino-6-({5-amino-6-[(5-amino-6-{[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-2-(hydroxymethyl)oxane-3,4-diol tetrahydrochloride

5-amino-6-({5-amino-6-[(5-amino-6-{[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-2-(hydroxymethyl)oxane-3,4-diol tetrahydrochloride

CAS: 117399-50-5

Formula: C24H50Cl4N4O17

SMILES: Cl.Cl.Cl.Cl.NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4N)C(O)C3N)C(O)C2N)C1O

IUPAC: 5-amino-6-({5-amino-6-[(5-amino-6-{[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-2-(hydroxymethyl)oxane-3,4-diol tetrahydrochloride

InChI: InChI=1/C24H46N4O17.4ClH/c25-9-15(35)18(6(2-30)39-21(9)38)43-23-11(27)17(37)20(8(4-32)41-23)45-24-12(28)16(36)19(7(3-31)42-24)44-22-10(26)14(34)13(33)5(1-29)40-22;;;;/h5-24,29-38H,1-4,25-28H2;4*1H

Composition: C (35.66%), H (6.23%), Cl (17.54%), N (6.93%), O (33.64%)

Molar Mass: 808.48

Atom Count: 99

Heavy Atom Count: 49

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 20
Exact Mass 806.192507
Formal Charge 0
FSP3 1
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 21
Hydrogen Bond Donor Count 14
InChIKey FYACONDITADORN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 139.79
Topological Polar Surface Area 370.99
Polarizability 59.84
Ring Count 4
Rotatable Bond Count 10

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Purity LeadTime CAS UnitPrice
98% <14 Days 117399-50-5 Quote Only