(3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane

C51H62O8Si2 — CID 160925208

IUPAC(3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CO[C@H]2OC[C@H](O)[C@H]21)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@H]1CO[C@H]2OC[C@H](OCc3ccccc3)[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34O4Si.C22H28O4Si/c1-29(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)33-26-21-32-28-27(26)25(20-31-28)30-19-22-13-7-4-8-14-22;1-22(2,3)27(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-19-15-25-21-20(19)18(23)14-24-21/h4-18,25-28H,19-21H2,1-3H3;4-13,18-21,23H,14-15H2,1-3H3/t25-,26-,27-,28+;18-,19-,20-,21+/m00/s1
InChIKeySSNWAHVVLORILL-AOTYJEAWSA-N
MW859.22 g/mol
LogP6.81
Rot. Bonds11

About (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane

(3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 160925208) has the molecular formula C51H62O8Si2 and a molecular weight of 859.22 g/mol. Its IUPAC name is (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane
PubChem CID160925208
Molecular FormulaC51H62O8Si2
Molecular Weight859.22 g/mol
Exact Mass858.40
IUPAC Name(3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CO[C@H]2OC[C@H](O)[C@H]21)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@H]1CO[C@H]2OC[C@H](OCc3ccccc3)[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34O4Si.C22H28O4Si/c1-29(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)33-26-21-32-28-27(26)25(20-31-28)30-19-22-13-7-4-8-14-22;1-22(2,3)27(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-19-15-25-21-20(19)18(23)14-24-21/h4-18,25-28H,19-21H2,1-3H3;4-13,18-21,23H,14-15H2,1-3H3/t25-,26-,27-,28+;18-,19-,20-,21+/m00/s1
InChIKeySSNWAHVVLORILL-AOTYJEAWSA-N
XLogP6.81
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.22
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane
CID 159902587
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate
CID 122212288
(3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl) carbamate
CID 141150025
(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
CID 164669991
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
CID 101473888
(3R,3aR,6S,6aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 160626165
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane (CID 160925208) is (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](O[C@H]1CO[C@H]2OC[C@H](O)[C@H]21)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@H]1CO[C@H]2OC[C@H](OCc3ccccc3)[C@H]21)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is SSNWAHVVLORILL-AOTYJEAWSA-N. The full InChI is InChI=1S/C29H34O4Si.C22H28O4Si/c1-29(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)33-26-21-32-28-27(26)25(20-31-28)30-19-22-13-7-4-8-14-22;1-22(2,3)27(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-19-15-25-21-20(19)18(23)14-24-21/h4-18,25-28H,19-21H2,1-3H3;4-13,18-21,23H,14-15H2,1-3H3/t25-,26-,27-,28+;18-,19-,20-,21+/m00/s1.
What are the key properties of (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane?
(3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 859.22 g/mol, XLogP of 6.81, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 160925208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).