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fusidic acid

fusidic acid

CAS: 6990-06-3

Formula: C31H48O6

SMILES: [H][C@@]12C[C@@H](O)[C@@]3([H])[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@]4([H])CC[C@]3(C)[C@@]1(C)C[C@H](OC(C)=O)\C2=C(\CCC=C(C)C)C(O)=O

IUPAC: 2-[(1Z,2S,3aS,3bS,5aS,6S,7R,9aS,9bS,10R,11aR)-2-(acetyloxy)-7,10-dihydroxy-3a,3b,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid

InChI: InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20+/t18-,21+,22-,23+,24+,25-,27-,29-,30+,31+/m0/s1

Composition: C (72.06%), H (9.36%), O (18.58%)

Molar Mass: 516.719

Atom Count: 85

Heavy Atom Count: 37

Properties
Properties
Common Names (-)-fusidic acid; diethanolamine fusidate; fucidate; fucidate sodium; fucidic acid; fucidin; fucidin acid; fucidin cream 2%; fucidine; fucithalmic; fusidate; fusidate sodium; fusidic acid; fusidine; ramycin; 夫西地酸
Aromatic Ring Count 0
Asymmetric Atom Count 10
Exact Mass 516.345089266
Formal Charge 0
FSP3 0.81
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey IECPWNUMDGFDKC-MZJAQBGESA-N
Lipinski's Rule of Five
Molar Refractivity 144.12
Topological Polar Surface Area 104.06
Polarizability 56.95
Ring Count 4
Rotatable Bond Count 6

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