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(2R,3R,4S,5S)-4,5,6-tris(benzoyloxy)-2-[(benzoyloxy)methyl]oxan-3-yl benzoate

(2R,3R,4S,5S)-4,5,6-tris(benzoyloxy)-2-[(benzoyloxy)methyl]oxan-3-yl benzoate

CAS: 96996-90-6

Formula: C41H32O11

SMILES: O=C(OC[C@H]1OC(OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1OC(=O)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (2R,3R,4S,5S)-4,5,6-tris(benzoyloxy)-2-[(benzoyloxy)methyl]oxan-3-yl benzoate

InChI: InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35+,41?/m1/s1

Composition: C (70.28%), H (4.60%), O (25.12%)

Molar Mass: 700.696

Atom Count: 84

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 5
Exact Mass 700.19446185
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey JJNMLNFZFGSWQR-HKNOGKPYSA-N
Lipinski's Rule of Five
Molar Refractivity 185.03
Topological Polar Surface Area 140.73
Polarizability 72.64
Ring Count 6
Rotatable Bond Count 16

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