(2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

C19H32O5Si2 — CID 14522199

IUPAC(2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESC[Si](C)(C)O[C@@H]1[C@@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1[Si](C)(C)C
InChIInChI=1S/C19H32O5Si2/c1-25(2,3)19-17(24-26(4,5)6)15(20)16-14(22-19)12-21-18(23-16)13-10-8-7-9-11-13/h7-11,14-20H,12H2,1-6H3/t14-,15+,16+,17-,18+,19-/m1/s1
InChIKeyAMVNNBZXBGWTHG-BPCAWRKVSA-N
MW396.63 g/mol
LogP3.33
Rot. Bonds4

About (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

(2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 14522199) has the molecular formula C19H32O5Si2 and a molecular weight of 396.63 g/mol. Its IUPAC name is (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name(2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID14522199
Molecular FormulaC19H32O5Si2
Molecular Weight396.63 g/mol
Exact Mass396.18
IUPAC Name(2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESC[Si](C)(C)O[C@@H]1[C@@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1[Si](C)(C)C
InChIInChI=1S/C19H32O5Si2/c1-25(2,3)19-17(24-26(4,5)6)15(20)16-14(22-19)12-21-18(23-16)13-10-8-7-9-11-13/h7-11,14-20H,12H2,1-6H3/t14-,15+,16+,17-,18+,19-/m1/s1
InChIKeyAMVNNBZXBGWTHG-BPCAWRKVSA-N
XLogP3.33
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.63
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

(4aR,6R,7R,8S,8aR)-7-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,8-diol
CID 67603919
(6S,8S,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 157295900
(2S,4aR,7R,8R,8aR)-6-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 11414442
(7S,8R)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 44514113
(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
(3S,6R,7S)-4-methyl-9-phenyl-2,8,10-trioxa-4-azatricyclo[5.4.0.03,5]undecan-6-ol
CID 126591222
(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
(2S,4aR,6R,7S,8R,8aR)-7-amino-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 124762101
(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
[(4aR,6S,8aR)-6-methoxy-2-phenyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-trimethylsilane
CID 174009869

Frequently Asked Questions

What is the IUPAC name of (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (CID 14522199) is (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1[Si](C)(C)C.
What is the InChIKey of (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is AMVNNBZXBGWTHG-BPCAWRKVSA-N. The full InChI is InChI=1S/C19H32O5Si2/c1-25(2,3)19-17(24-26(4,5)6)15(20)16-14(22-19)12-21-18(23-16)13-10-8-7-9-11-13/h7-11,14-20H,12H2,1-6H3/t14-,15+,16+,17-,18+,19-/m1/s1.
What are the key properties of (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
(2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 396.63 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aR,6R,7R,8S,8aR)-2-phenyl-6-trimethylsilyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 14522199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).