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sodium 1-(2-{2-hydroxy-6-[14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaen-1-yl]-3-methyloxan-2-yl}-2-oxoacetyl)piperidine-2-carboxylate

sodium 1-(2-{2-hydroxy-6-[14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaen-1-yl]-3-methyloxan-2-yl}-2-oxoacetyl)piperidine-2-carboxylate

CAS: 148554-65-8

Formula: C51H78NNaO13

SMILES: [Na+].COC(CC1CCC(C)C(O)(O1)C(=O)C(=O)N1CCCCC1C([O-])=O)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(=O)C=CC(C)CC1CCC(O)C(C1)OC

IUPAC: sodium 1-(2-{2-hydroxy-6-[14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaen-1-yl]-3-methyloxan-2-yl}-2-oxoacetyl)piperidine-2-carboxylate

InChI: InChI=1/C51H79NO13.Na/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60;/h11-13,16-17,19,23,28,31-32,34-35,37

Composition: C (65.43%), H (8.40%), N (1.50%), Na (2.46%), O (22.22%)

Molar Mass: 936.169

Atom Count: 144

Heavy Atom Count: 66

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 14
Exact Mass 935.53708586
Formal Charge 0
FSP3 0.71
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 13
Hydrogen Bond Donor Count 3
InChIKey DNMSBJYMPJMFNS-UHFFFAOYNA-M
Lipinski's Rule of Five
Molar Refractivity 264.65
Topological Polar Surface Area 209.26
Polarizability 97.77
Ring Count 3
Rotatable Bond Count 24

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 148554-65-8 $237.73-$1,414.14$237.73$371.50$808.74$1,414.14
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