(2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol

C34H54O7Si2 — CID 10941217

IUPAC(2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2O[C@@H](CCO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H54O7Si2/c1-33(2,3)42(7,8)41-28-23-29-32(31(37)30(36)27(39-29)19-21-35)40-26(28)20-22-38-43(34(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,26-32,35-37H,19-23H2,1-8H3/t26-,27+,28+,29-,30+,31-,32-/m1/s1
InChIKeyPQNZDOXRVXERKU-NGOJXASSSA-N
MW630.97 g/mol
LogP4.37
Rot. Bonds10

About (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol

(2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol (PubChem CID 10941217) has the molecular formula C34H54O7Si2 and a molecular weight of 630.97 g/mol. Its IUPAC name is (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol
PubChem CID10941217
Molecular FormulaC34H54O7Si2
Molecular Weight630.97 g/mol
Exact Mass630.34
IUPAC Name(2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2O[C@@H](CCO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H54O7Si2/c1-33(2,3)42(7,8)41-28-23-29-32(31(37)30(36)27(39-29)19-21-35)40-26(28)20-22-38-43(34(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,26-32,35-37H,19-23H2,1-8H3/t26-,27+,28+,29-,30+,31-,32-/m1/s1
InChIKeyPQNZDOXRVXERKU-NGOJXASSSA-N
XLogP4.37
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.97
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol?
The IUPAC name of (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol (CID 10941217) is (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol.
What is the SMILES notation for (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol?
The canonical SMILES for (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2O[C@@H](CCO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol?
The InChIKey is PQNZDOXRVXERKU-NGOJXASSSA-N. The full InChI is InChI=1S/C34H54O7Si2/c1-33(2,3)42(7,8)41-28-23-29-32(31(37)30(36)27(39-29)19-21-35)40-26(28)20-22-38-43(34(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,26-32,35-37H,19-23H2,1-8H3/t26-,27+,28+,29-,30+,31-,32-/m1/s1.
What are the key properties of (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol?
(2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol has a molecular weight of 630.97 g/mol, XLogP of 4.37, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol is sourced from PubChem (CID 10941217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).