2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 1589590-87-3

Formula: C24H25FO5S

SMILES: CC1=C(CC2=CC=C(S2)C2=CC=C(F)C=C2)C=C(C=C1)C1OC(CO)C(O)C(O)C1O

IUPAC: 2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

InChI: InChI=1/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3

Composition: C (64.85%), H (5.67%), F (4.27%), O (18.00%), S (7.21%)

Molar Mass: 444.52

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	5
Exact Mass	444.140673242
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
InChIKey	XTNGUQKDFGDXSJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.14
Topological Polar Surface Area	90.15
Polarizability	46.2
Ring Count	4
Rotatable Bond Count	5

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97%	<14 Days	1589590-87-3		$134.64-$4,142.22$134.64$529.38$2,291.94$4,142.22