(2S,3R,4R,5S,6R)-3,4,5-tris(benzyloxy)-2-methyl-6-(phenylsulfanyl)oxane

(2S,3R,4R,5S,6R)-3,4,5-tris(benzyloxy)-2-methyl-6-(phenylsulfanyl)oxane

CAS: 167612-35-3

Formula: C33H34O4S

SMILES: C[C@@H]1O[C@H](SC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1

IUPAC: (2S,3R,4R,5S,6R)-3,4,5-tris(benzyloxy)-2-methyl-6-(phenylsulfanyl)oxane

InChI: InChI=1S/C33H34O4S/c1-25-30(34-22-26-14-6-2-7-15-26)31(35-23-27-16-8-3-9-17-27)32(36-24-28-18-10-4-11-19-28)33(37-25)38-29-20-12-5-13-21-29/h2-21,25,30-33H,22-24H2,1H3/t25-,30-,31+,32-,33+/m0/s1

Composition: C (75.26%), H (6.51%), O (12.15%), S (6.09%)

Molar Mass: 526.69

Atom Count: 72

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	5
Exact Mass	526.217780749
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WGAOZACWMVPQOY-MYSXWRMNSA-N
Lipinski's Rule of Five
Molar Refractivity	153.27
Topological Polar Surface Area	36.92
Polarizability	60.8
Ring Count	5
Rotatable Bond Count	11

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