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

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

CAS: 19949-47-4

Formula: C26H36O17

SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

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

InChI: InChI=1S/C26H36O17/c1-10-19(36-12(3)28)21(38-14(5)30)23(40-16(7)32)25(35-10)43-24-22(39-15(6)31)20(37-13(4)29)18(9-34-11(2)27)42-26(24)41-17(8)33/h10,18-26H,9H2,1-8H3/t10-,18+,19-,20-,21+,22-,23-,24+,25-,26+/m0/s1

Composition: C (50.32%), H (5.85%), O (43.83%)

Molar Mass: 620.557

Atom Count: 79

Heavy Atom Count: 43

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 10
Exact Mass 620.195249699
Formal Charge 0
FSP3 0.73
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 0
InChIKey PXSGTFALWGIXGH-VFBVLVIPSA-N
Lipinski's Rule of Five
Molar Refractivity 130.85
Topological Polar Surface Area 211.79
Polarizability 55.23
Ring Count 2
Rotatable Bond Count 17

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 19949-47-4 $732.78-$1,071.23$732.78$1,071.23
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Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 19949-47-4 $707.25-$1,056.85$707.25$1,056.85
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