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6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-7-methoxy-10-(methoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one

6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-7-methoxy-10-(methoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one

CAS: 127252-80-6

Formula: C39H72N2O13

SMILES: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(CC(C)C(=NOC)C(C)C(O)C1(C)O)OC

IUPAC: 6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-7-methoxy-10-(methoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one

InChI: InChI=1/C39H72N2O13/c1-16-27-39(10,46)32(43)22(4)29(40-49-15)20(2)18-38(9,48-14)34(54-36-30(42)26(41(11)12)17-21(3)50-36)23(5)31(24(6)35(45)52-27)53-28-19-37(8,47-13)33(44)25(7)51-28/h20-28,30-34,36,42-44,46H,16-19H2,1-15H3

Composition: C (60.29%), H (9.34%), N (3.61%), O (26.77%)

Molar Mass: 777.006

Atom Count: 126

Heavy Atom Count: 54

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 18
Exact Mass 776.503440386
Formal Charge 0
FSP3 0.95
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 14
Hydrogen Bond Donor Count 4
InChIKey BZXVFUGKJGEBBE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 199.09
Topological Polar Surface Area 187.43
Polarizability 80.85
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 127252-80-6 $122.40-$986.34$122.40$986.34
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