[(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol

C26H36O6Si — CID 59072337

IUPAC[(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol
SMILESCO[C@@H]1O[C@](CO)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C2OC(C)(C)O[C@@H]21
InChIInChI=1S/C26H36O6Si/c1-24(2,3)33(19-13-9-7-10-14-19,20-15-11-8-12-16-20)29-18-26(17-27)22-21(23(28-6)32-26)30-25(4,5)31-22/h7-16,21-23,27H,17-18H2,1-6H3/t21-,22?,23+,26+/m0/s1
InChIKeyKHDLPJBUDNPHMK-KZZIRYEQSA-N
MW472.65 g/mol
LogP2.82
Rot. Bonds7

About [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol

[(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol (PubChem CID 59072337) has the molecular formula C26H36O6Si and a molecular weight of 472.65 g/mol. Its IUPAC name is [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol.

Molecular Properties

Compound Name[(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol
PubChem CID59072337
Molecular FormulaC26H36O6Si
Molecular Weight472.65 g/mol
Exact Mass472.23
IUPAC Name[(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol
SMILESCO[C@@H]1O[C@](CO)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C2OC(C)(C)O[C@@H]21
InChIInChI=1S/C26H36O6Si/c1-24(2,3)33(19-13-9-7-10-14-19,20-15-11-8-12-16-20)29-18-26(17-27)22-21(23(28-6)32-26)30-25(4,5)31-22/h7-16,21-23,27H,17-18H2,1-6H3/t21-,22?,23+,26+/m0/s1
InChIKeyKHDLPJBUDNPHMK-KZZIRYEQSA-N
XLogP2.82
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.65
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol 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

(3aR,6R,6aR)-6-(((tert-Butyldiphenylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 10550491
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol
CID 357855
3-C-((Triphenylstannyl)methyl)-1,2-5,6-di-O-isopropylidene-D-allofuranose
CID 3081733
(3aS,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11954920
(2S,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974074
(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974075
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10408712
methyl 5-O-t-butyldiphenylsilyl-2-deoxy-d-erythro-pentofuranoside
CID 11047329
tert-Butyl(((3aR,5S,6aR)-2,2-dimethyl-6-methylenetetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy)diphenylsilane
CID 102013008
(3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 135022023
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952

Frequently Asked Questions

What is the IUPAC name of [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol?
The IUPAC name of [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol (CID 59072337) is [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol.
What is the SMILES notation for [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol?
The canonical SMILES for [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol is CO[C@@H]1O[C@](CO)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol?
The InChIKey is KHDLPJBUDNPHMK-KZZIRYEQSA-N. The full InChI is InChI=1S/C26H36O6Si/c1-24(2,3)33(19-13-9-7-10-14-19,20-15-11-8-12-16-20)29-18-26(17-27)22-21(23(28-6)32-26)30-25(4,5)31-22/h7-16,21-23,27H,17-18H2,1-6H3/t21-,22?,23+,26+/m0/s1.
What are the key properties of [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol?
[(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol has a molecular weight of 472.65 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methanol is sourced from PubChem (CID 59072337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).