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

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

CAS: 6291-42-5

Formula: C28H38O19

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

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

InChI: InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28+/m1/s1

Composition: C (49.56%), H (5.64%), O (44.80%)

Molar Mass: 678.593

Atom Count: 85

Heavy Atom Count: 47

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 10
Exact Mass 678.200729004
Formal Charge 0
FSP3 0.71
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 0
InChIKey WOTQVEKSRLZRSX-JRFIZLOQSA-N
Lipinski's Rule of Five
Molar Refractivity 141.55
Topological Polar Surface Area 238.09
Polarizability 59.79
Ring Count 2
Rotatable Bond Count 20

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