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

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

CAS: 3150-20-7

Formula: C13H18O7

SMILES: COC1=CC=C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1

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

InChI: InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/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	4
InChIKey	SIXFVXJMCGPTRB-KSSYENDESA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.65
Topological Polar Surface Area	108.61
Polarizability	27.16
Ring Count	2
Rotatable Bond Count	4

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