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bis(2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-2,5-dimethyl-4-(methylamino)oxane-3,5-diol); pentakis(sulfuric acid)

bis(2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-2,5-dimethyl-4-(methylamino)oxane-3,5-diol); pentakis(sulfuric acid)

Formula: C40H88N10O34S5

SMILES: OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.CNC1C(O)C(C)(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O.CNC1C(O)C(C)(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O

IUPAC: bis(2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-2,5-dimethyl-4-(methylamino)oxane-3,5-diol); pentakis(sulfuric acid)

InChI: InChI=1/2C20H39N5O7.5H2O4S/c2*1-19(28)8-29-20(2,17(27)16(19)25-3)32-15-12(24)6-11(23)14(13(15)26)31-18-10(22)5-4-9(7-21)30-18;5*1-5(2,3)4/h2*4,10-18,25-28H,5-8,21-24H2,1-3H3;5*(H2,1,2,3,4)

Composition: C (33.99%), H (6.28%), N (9.91%), O (38.48%), S (11.34%)

Molar Mass: 1413.48

Atom Count: 177

Heavy Atom Count: 89

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 22
Exact Mass 1412.406795824
Formal Charge 0
FSP3 0.9
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 8
InChIKey FEVWMYFLRBBDIH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 115.34
Topological Polar Surface Area 213.72
Polarizability 47.49
Ring Count 6
Rotatable Bond Count 12

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <14 Days C40H88N10O34S5 Quote Only