(2S,3R,4R,5S,6R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4R,5S,6R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 1291094-73-9

Formula: C23H28O7

SMILES: CCC1=CC=C(C=C1CC1=CC=C2OCCOC2=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

IUPAC: (2S,3R,4R,5S,6R)-2-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-ethylphenyl}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI: InChI=1S/C23H28O7/c1-2-14-4-5-15(23-22(27)21(26)20(25)19(12-24)30-23)11-16(14)9-13-3-6-17-18(10-13)29-8-7-28-17/h3-6,10-11,19-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1

Composition: C (66.33%), H (6.78%), O (26.89%)

Molar Mass: 416.47

Atom Count: 58

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	416.183503242
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	XFJAMQQAAMJFGB-ZQGJOIPISA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.51
Topological Polar Surface Area	108.61
Polarizability	43.12
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1291094-73-9		$171.23-$2,272.56$171.23$305.00$606.93$909.64$1,515.04$2,272.56