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[(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(4-methylphenoxy)oxan-2-yl]methyl acetate

[(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(4-methylphenoxy)oxan-2-yl]methyl acetate

CAS: 52730-14-0

Formula: C21H26O10

SMILES: CC(=O)OC[C@H]1O[C@H](OC2=CC=C(C)C=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(4-methylphenoxy)oxan-2-yl]methyl acetate

InChI: InChI=1S/C21H26O10/c1-11-6-8-16(9-7-11)30-21-20(29-15(5)25)19(28-14(4)24)18(27-13(3)23)17(31-21)10-26-12(2)22/h6-9,17-21H,10H2,1-5H3/t17-,18+,19+,20-,21+/m1/s1

Composition: C (57.53%), H (5.98%), O (36.49%)

Molar Mass: 438.429

Atom Count: 57

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 438.152597037
Formal Charge 0
FSP3 0.52
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey OBNBHYQEYRONSE-IFLJBQAJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.83
Topological Polar Surface Area 123.66
Polarizability 41.78
Ring Count 2
Rotatable Bond Count 11

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Purity LeadTime CAS UnitPrice
98% <10 Days 52730-14-0 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 52730-14-0 $161.41-$319.03$161.41$319.03
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