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[3,4,5-tris(acetyloxy)-6-{[3,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-(4-methoxyphenoxy)oxan-4-yl]oxy}oxan-2-yl]methyl acetate

[3,4,5-tris(acetyloxy)-6-{[3,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-(4-methoxyphenoxy)oxan-4-yl]oxy}oxan-2-yl]methyl acetate

Formula: C33H42O19

SMILES: COC1=CC=C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C=C1

IUPAC: [3,4,5-tris(acetyloxy)-6-{[3,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-(4-methoxyphenoxy)oxan-4-yl]oxy}oxan-2-yl]methyl acetate

InChI: InChI=1/C33H42O19/c1-15(34)42-13-24-26(44-17(3)36)28(46-19(5)38)30(47-20(6)39)33(51-24)52-29-27(45-18(4)37)25(14-43-16(2)35)50-32(31(29)48-21(7)40)49-23-11-9-22(41-8)10-12-23/h9-12,24-33H,13-14H2,1-8H3

Composition: C (53.37%), H (5.70%), O (40.93%)

Molar Mass: 742.68

Atom Count: 94

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 10
Exact Mass 742.232029132
Formal Charge 0
FSP3 0.61
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 0
InChIKey XFMAXEAOAUPUQZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 163.12
Topological Polar Surface Area 230.25
Polarizability 67.95
Ring Count 3
Rotatable Bond Count 21

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C33H42O19 Quote Only