(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol

C30H38N2O7Si — CID 10984631

IUPAC(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
SMILESCOc1ncc([C@@]2(O)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)c(OC)n1
InChIInChI=1S/C30H38N2O7Si/c1-28(2,3)40(20-14-10-8-11-15-20,21-16-12-9-13-17-21)36-19-23-24-25(39-29(4,5)38-24)30(33,37-23)22-18-31-27(35-7)32-26(22)34-6/h8-18,23-25,33H,19H2,1-7H3/t23-,24-,25-,30-/m1/s1
InChIKeyIXWQFZGSLCCCAG-SFOWLQBLSA-N
MW566.73 g/mol
LogP3.13
Rot. Bonds8

About (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol

(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol (PubChem CID 10984631) has the molecular formula C30H38N2O7Si and a molecular weight of 566.73 g/mol. Its IUPAC name is (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
PubChem CID10984631
Molecular FormulaC30H38N2O7Si
Molecular Weight566.73 g/mol
Exact Mass566.24
IUPAC Name(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
SMILESCOc1ncc([C@@]2(O)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)c(OC)n1
InChIInChI=1S/C30H38N2O7Si/c1-28(2,3)40(20-14-10-8-11-15-20,21-16-12-9-13-17-21)36-19-23-24-25(39-29(4,5)38-24)30(33,37-23)22-18-31-27(35-7)32-26(22)34-6/h8-18,23-25,33H,19H2,1-7H3/t23-,24-,25-,30-/m1/s1
InChIKeyIXWQFZGSLCCCAG-SFOWLQBLSA-N
XLogP3.13
TPSA101.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.73
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol with MolForge

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Related Compounds

(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 101444428
[(3aR,6R,6aR)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 135012265
(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 11307283
[(4S,6R,6aR)-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-ditert-butyl-phenylsilane
CID 58668967
ethyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate
CID 102120982
(3aR,6R,6aR)-4-[1-(benzenesulfonyl)benzimidazol-2-yl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 11814459
(3aR,4R,6R,6aR)-4-(benzenesulfonylmethyl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 11146295
(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 73056658
(4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylic acid
CID 122173438
(3aS,4R,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 101470803
(3aS,5S,6R,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10960947
[(4S,5R)-5-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 101230365

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
The IUPAC name of (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol (CID 10984631) is (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol.
What is the SMILES notation for (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
The canonical SMILES for (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol is COc1ncc([C@@]2(O)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)c(OC)n1.
What is the InChIKey of (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
The InChIKey is IXWQFZGSLCCCAG-SFOWLQBLSA-N. The full InChI is InChI=1S/C30H38N2O7Si/c1-28(2,3)40(20-14-10-8-11-15-20,21-16-12-9-13-17-21)36-19-23-24-25(39-29(4,5)38-24)30(33,37-23)22-18-31-27(35-7)32-26(22)34-6/h8-18,23-25,33H,19H2,1-7H3/t23-,24-,25-,30-/m1/s1.
What are the key properties of (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol has a molecular weight of 566.73 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 10984631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).