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6-[7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0?,¹³]trideca-5(13),6,8,11-tetraene-11-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0?,¹³]trideca-5(13),6,8,11-tetraene-11-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS: 160962-46-9

Formula: C24H28FN3O10

SMILES: CC1COC2=C3N1C=C(C(=O)OC1OC(C(O)C(O)C1O)C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1

IUPAC: 6-[7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0?,¹³]trideca-5(13),6,8,11-tetraene-11-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

InChI: InChI=1/C24H28FN3O10/c1-10-9-36-20-14-11(7-13(25)15(20)27-5-3-26(2)4-6-27)16(29)12(8-28(10)14)23(35)38-24-19(32)17(30)18(31)21(37-24)22(33)34/h7-8,10,17-19,21,24,30-32H,3-6,9H2,1-2H3,(H,33,34)

Composition: C (53.63%), H (5.25%), F (3.53%), N (7.82%), O (29.77%)

Molar Mass: 537.497

Atom Count: 66

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 6
Exact Mass 537.175872277
Formal Charge 0
FSP3 0.54
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 4
InChIKey GACUZKDACXKMSN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 127.23
Topological Polar Surface Area 169.54
Polarizability 48.75
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 160962-46-9 $193.80-$2,401.08$193.80$374.34$873.12$1,477.98$2,401.08
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