(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 21082-33-7

Formula: C13H18O7

SMILES: CC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1

IUPAC: (2S,3R,4S,5S,6R)-2-(3-hydroxy-5-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

InChI: InChI=1S/C13H18O7/c1-6-2-7(15)4-8(3-6)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1

Composition: C (54.54%), H (6.34%), O (39.12%)

Molar Mass: 286.28

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	286.10525292
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
InChIKey	YTXIGTCAQNODGD-UJPOAAIJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.21
Topological Polar Surface Area	119.61
Polarizability	27.03
Ring Count	2
Rotatable Bond Count	3

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