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(2R,3S,4S,5S)-2,3,4-tris(benzyloxy)-5-[(benzyloxy)methyl]-5-hydroxycyclohexan-1-one

(2R,3S,4S,5S)-2,3,4-tris(benzyloxy)-5-[(benzyloxy)methyl]-5-hydroxycyclohexan-1-one

CAS: 115250-38-9

Formula: C35H36O6

SMILES: O[C@]1(COCC2=CC=CC=C2)CC(=O)[C@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1

IUPAC: (2R,3S,4S,5S)-2,3,4-tris(benzyloxy)-5-[(benzyloxy)methyl]-5-hydroxycyclohexan-1-one

InChI: InChI=1S/C35H36O6/c36-31-21-35(37,26-38-22-27-13-5-1-6-14-27)34(41-25-30-19-11-4-12-20-30)33(40-24-29-17-9-3-10-18-29)32(31)39-23-28-15-7-2-8-16-28/h1-20,32-34,37H,21-26H2/t32-,33+,34-,35-/m0/s1

Composition: C (76.06%), H (6.57%), O (17.37%)

Molar Mass: 552.667

Atom Count: 77

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 4
Exact Mass 552.251188879
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey JWXHKWBUBUUEFP-SNSGHMKVSA-N
Lipinski's Rule of Five
Molar Refractivity 157.31
Topological Polar Surface Area 74.22
Polarizability 62.09
Ring Count 5
Rotatable Bond Count 13

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