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[3,4,5-tris(acetyloxy)-6-(2-methoxy-4-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenoxy)oxan-2-yl]methyl acetate

[3,4,5-tris(acetyloxy)-6-(2-methoxy-4-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenoxy)oxan-2-yl]methyl acetate

Formula: C29H40N2O12

SMILES: COC1=CC(=CC=C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)C(=O)NCCN1CCCCC1

IUPAC: [3,4,5-tris(acetyloxy)-6-(2-methoxy-4-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenoxy)oxan-2-yl]methyl acetate

InChI: InChI=1/C29H40N2O12/c1-17(32)38-16-24-25(39-18(2)33)26(40-19(3)34)27(41-20(4)35)29(43-24)42-22-10-9-21(15-23(22)37-5)28(36)30-11-14-31-12-7-6-8-13-31/h9-10,15,24-27,29H,6-8,11-14,16H2,1-5H3,(H,30,36)

Composition: C (57.23%), H (6.62%), N (4.60%), O (31.54%)

Molar Mass: 608.641

Atom Count: 83

Heavy Atom Count: 43

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 608.258124736
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 1
InChIKey FPLGXEKADHTSNC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 147.39
Topological Polar Surface Area 165.23
Polarizability 59.09
Ring Count 3
Rotatable Bond Count 16

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H40N2O12 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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