(4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-7,8-diol

(4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-7,8-diol

CAS: 3162-96-7

Formula: C14H18O6

SMILES: CO[C@H]1O[C@@H]2COC(O[C@H]2[C@H](O)[C@H]1O)C1=CC=CC=C1

IUPAC: (4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-7,8-diol

InChI: InChI=1S/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11-,12-,13?,14+/m1/s1

Composition: C (59.57%), H (6.43%), O (34.01%)

Molar Mass: 282.292

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	282.1103383
Formal Charge	0
FSP3	0.57
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	VVSWDMJYIDBTMV-BTZLDLHRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.56
Topological Polar Surface Area	77.38
Polarizability	27.69
Ring Count	3
Rotatable Bond Count	2

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