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6-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione; phosphoric acid

6-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione; phosphoric acid

CAS: 137330-13-3

Formula: C46H83N2O17P

SMILES: OP(O)(O)=O.CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(C2O)N(C)C)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC

IUPAC: 6-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione; phosphoric acid

InChI: InChI=1/C46H80N2O13.H3O4P/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45;1-5(2,3)4/h14-15,19,26-33,35-36,38-46,50,5

Composition: C (57.13%), H (8.65%), N (2.90%), O (28.12%), P (3.20%)

Molar Mass: 967.141

Atom Count: 149

Heavy Atom Count: 66

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 19
Exact Mass 966.542936219
Formal Charge 0
FSP3 0.87
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 14
Hydrogen Bond Donor Count 4
InChIKey NESIVXZOSKKUDP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 232.21
Topological Polar Surface Area 186.15
Polarizability 92.65
Ring Count 4
Rotatable Bond Count 12

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 137330-13-3 Quote Only