(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

C22H26O8 — CID 57343293

IUPAC(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
SMILESO[C@@H]1[C@@H](O)[C@H](OC[C@H](O)[C@@H](O)c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]12
InChIInChI=1S/C22H26O8/c23-15(17(24)13-7-3-1-4-8-13)11-27-22-19(26)18(25)20-16(29-22)12-28-21(30-20)14-9-5-2-6-10-14/h1-10,15-26H,11-12H2/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1
InChIKeySZGYZIHWCHYVOD-GADKELDLSA-N
MW418.44 g/mol
LogP0.66
Rot. Bonds6

About (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

(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 (PubChem CID 57343293) has the molecular formula C22H26O8 and a molecular weight of 418.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID57343293
Molecular FormulaC22H26O8
Molecular Weight418.44 g/mol
Exact Mass418.16
IUPAC Name(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
SMILESO[C@@H]1[C@@H](O)[C@H](OC[C@H](O)[C@@H](O)c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]12
InChIInChI=1S/C22H26O8/c23-15(17(24)13-7-3-1-4-8-13)11-27-22-19(26)18(25)20-16(29-22)12-28-21(30-20)14-9-5-2-6-10-14/h1-10,15-26H,11-12H2/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1
InChIKeySZGYZIHWCHYVOD-GADKELDLSA-N
XLogP0.66
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
6-ethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 73455690
(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
(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
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
(2R,4aR,6S,7S,8R,8aS)-6-pent-4-enoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 10745581

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O[C@@H]1[C@@H](O)[C@H](OC[C@H](O)[C@@H](O)c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]12.
What is the InChIKey of (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?
The InChIKey is SZGYZIHWCHYVOD-GADKELDLSA-N. The full InChI is InChI=1S/C22H26O8/c23-15(17(24)13-7-3-1-4-8-13)11-27-22-19(26)18(25)20-16(29-22)12-28-21(30-20)14-9-5-2-6-10-14/h1-10,15-26H,11-12H2/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 418.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 57343293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).