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(3R,4R,5R)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate

(3R,4R,5R)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate

CAS: 14215-97-5

Formula: C28H24O9

SMILES: CC(=O)OC1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1

IUPAC: (3R,4R,5R)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate

InChI: InChI=1S/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3/t22-,23-,24-,28?/m1/s1

Composition: C (66.66%), H (4.80%), O (28.54%)

Molar Mass: 504.491

Atom Count: 61

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 4
Exact Mass 504.142032353
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey GCZABPLTDYVJMP-ASAMFVBJSA-N
Lipinski's Rule of Five
Molar Refractivity 128.58
Topological Polar Surface Area 114.43
Polarizability 50.93
Ring Count 4
Rotatable Bond Count 12

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