(2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

C17H24O8 — CID 57343453

IUPAC(2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESC[C@@](O)(CO)CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1O
InChIInChI=1S/C17H24O8/c1-17(21,8-18)9-23-16-13(20)12(19)14-11(24-16)7-22-15(25-14)10-5-3-2-4-6-10/h2-6,11-16,18-21H,7-9H2,1H3/t11-,12-,13-,14-,15-,16-,17-/m1/s1
InChIKeyPDBHOIDRAJHOGU-OGDJNORSSA-N
MW356.37 g/mol
LogP-0.69
Rot. Bonds5

About (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

(2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (PubChem CID 57343453) has the molecular formula C17H24O8 and a molecular weight of 356.37 g/mol. Its IUPAC name is (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

Molecular Properties

Compound Name(2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
PubChem CID57343453
Molecular FormulaC17H24O8
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Name(2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESC[C@@](O)(CO)CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1O
InChIInChI=1S/C17H24O8/c1-17(21,8-18)9-23-16-13(20)12(19)14-11(24-16)7-22-15(25-14)10-5-3-2-4-6-10/h2-6,11-16,18-21H,7-9H2,1H3/t11-,12-,13-,14-,15-,16-,17-/m1/s1
InChIKeyPDBHOIDRAJHOGU-OGDJNORSSA-N
XLogP-0.69
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol with MolForge

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Related Compounds

6-ethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 73455690
(4aR,7R,8R,8aR)-2-phenyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 91030531
(2R,4aR,6R,7S,8S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 906007
(2S,4aR,6R,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 86316912
(2R,4aR,6S,7S,8S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 10468969
(2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 643246
(2R,4aR,6R,7R,8R,8aS)-6-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 11168312
(2R,4aR,6R,7R,8R,8aS)-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 93477372
(6S,8S,8aS)-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 172641706
(2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxypropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 57343452
2-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethylcarbamic acid
CID 118005593
(2S,4aR,6R,7R,8R,8aR)-6-[(2S,3S)-2,3-dihydroxy-3-phenylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 57343293

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The IUPAC name of (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (CID 57343453) is (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.
What is the SMILES notation for (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The canonical SMILES for (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is C[C@@](O)(CO)CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1O.
What is the InChIKey of (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The InChIKey is PDBHOIDRAJHOGU-OGDJNORSSA-N. The full InChI is InChI=1S/C17H24O8/c1-17(21,8-18)9-23-16-13(20)12(19)14-11(24-16)7-22-15(25-14)10-5-3-2-4-6-10/h2-6,11-16,18-21H,7-9H2,1H3/t11-,12-,13-,14-,15-,16-,17-/m1/s1.
What are the key properties of (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
(2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol has a molecular weight of 356.37 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6R,7R,8R,8aS)-6-[(2R)-2,3-dihydroxy-2-methylpropoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is sourced from PubChem (CID 57343453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).