4-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde

4-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde

CAS: 80154-34-3

Formula: C13H16O7

SMILES: OC[C@H]1O[C@@H](OC2=CC=C(C=O)C=C2)[C@H](O)[C@H](O)[C@@H]1O

IUPAC: 4-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde

InChI: InChI=1/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11-,12-,13-/s2

Composition: C (54.93%), H (5.67%), O (39.40%)

Molar Mass: 284.264

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	284.089602855
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	OLZAGZCCJJBKNZ-XFNGVKIANA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.77
Topological Polar Surface Area	116.45
Polarizability	26.56
Ring Count	2
Rotatable Bond Count	4

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