1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane

C119H179IN2O18Si3 — CID 159924501

IUPAC1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane
SMILESC.C=C1C[C@H](CCC=O)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H](C[C@@H](CN3C(=O)c4ccccc4C3=O)O[Si](C)(C)C(C)(C)C)[C@H](C)C2CCc2ccccc2)O1.C=C1C[C@H](CCCO)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H](C[C@@H](CN3C(=O)c4ccccc4C3=O)O[Si](C)(C)C(C)(C)C)[C@H](C)C2CCc2ccccc2)O1.CC(=O)C[C@H]1CC[C@@H]2O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C)C2O1
InChIInChI=1S/C48H69NO7Si.C48H67NO7Si.C22H39IO4Si.CH4/c2*1-31-26-37(22-24-42-32(2)27-36(53-42)18-15-25-50)54-44(33(31)3)29-45-39(23-21-35-16-11-10-12-17-35)34(4)43(55-45)28-38(56-57(8,9)48(5,6)7)30-49-46(51)40-19-13-14-20-41(40)47(49)52;1-14(24)13-17-9-10-18-20(25-17)15(2)16(3)21(26-18)19(11-12-23)27-28(7,8)22(4,5)6;/h10-14,16-17,19-20,31,34,36-39,42-45,50H,2-3,15,18,21-30H2,1,4-9H3;10-14,16-17,19-20,25,31,34,36-39,42-45H,2-3,15,18,21-24,26-30H2,1,4-9H3;11-12,15-21H,9-10,13H2,1-8H3;1H4/b;;12-11+;/t2*31-,34-,36+,37+,38+,39?,42?,43-,44?,45+;15-,16+,17-,18+,19+,20?,21-;/m111./s1
InChIKeyNYVHXGPASPPNDT-FGWRMOPBSA-N
MW2136.90 g/mol
LogP26.18
Rot. Bonds40

About 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane

1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane (PubChem CID 159924501) has the molecular formula C119H179IN2O18Si3 and a molecular weight of 2136.90 g/mol. Its IUPAC name is 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane.

Molecular Properties

Compound Name1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane
PubChem CID159924501
Molecular FormulaC119H179IN2O18Si3
Molecular Weight2136.90 g/mol
Exact Mass2135.15
IUPAC Name1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane
SMILESC.C=C1C[C@H](CCC=O)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H](C[C@@H](CN3C(=O)c4ccccc4C3=O)O[Si](C)(C)C(C)(C)C)[C@H](C)C2CCc2ccccc2)O1.C=C1C[C@H](CCCO)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H](C[C@@H](CN3C(=O)c4ccccc4C3=O)O[Si](C)(C)C(C)(C)C)[C@H](C)C2CCc2ccccc2)O1.CC(=O)C[C@H]1CC[C@@H]2O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C)C2O1
InChIInChI=1S/C48H69NO7Si.C48H67NO7Si.C22H39IO4Si.CH4/c2*1-31-26-37(22-24-42-32(2)27-36(53-42)18-15-25-50)54-44(33(31)3)29-45-39(23-21-35-16-11-10-12-17-35)34(4)43(55-45)28-38(56-57(8,9)48(5,6)7)30-49-46(51)40-19-13-14-20-41(40)47(49)52;1-14(24)13-17-9-10-18-20(25-17)15(2)16(3)21(26-18)19(11-12-23)27-28(7,8)22(4,5)6;/h10-14,16-17,19-20,31,34,36-39,42-45,50H,2-3,15,18,21-30H2,1,4-9H3;10-14,16-17,19-20,25,31,34,36-39,42-45H,2-3,15,18,21-24,26-30H2,1,4-9H3;11-12,15-21H,9-10,13H2,1-8H3;1H4/b;;12-11+;/t2*31-,34-,36+,37+,38+,39?,42?,43-,44?,45+;15-,16+,17-,18+,19+,20?,21-;/m111./s1
InChIKeyNYVHXGPASPPNDT-FGWRMOPBSA-N
XLogP26.18
TPSA230.66 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002136.90
LogP ≤ 526.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane?
The IUPAC name of 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane (CID 159924501) is 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane.
What is the SMILES notation for 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane?
The canonical SMILES for 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane is C.C=C1C[C@H](CCC=O)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H](C[C@@H](CN3C(=O)c4ccccc4C3=O)O[Si](C)(C)C(C)(C)C)[C@H](C)C2CCc2ccccc2)O1.C=C1C[C@H](CCCO)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H](C[C@@H](CN3C(=O)c4ccccc4C3=O)O[Si](C)(C)C(C)(C)C)[C@H](C)C2CCc2ccccc2)O1.CC(=O)C[C@H]1CC[C@@H]2O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C)C2O1.
What is the InChIKey of 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane?
The InChIKey is NYVHXGPASPPNDT-FGWRMOPBSA-N. The full InChI is InChI=1S/C48H69NO7Si.C48H67NO7Si.C22H39IO4Si.CH4/c2*1-31-26-37(22-24-42-32(2)27-36(53-42)18-15-25-50)54-44(33(31)3)29-45-39(23-21-35-16-11-10-12-17-35)34(4)43(55-45)28-38(56-57(8,9)48(5,6)7)30-49-46(51)40-19-13-14-20-41(40)47(49)52;1-14(24)13-17-9-10-18-20(25-17)15(2)16(3)21(26-18)19(11-12-23)27-28(7,8)22(4,5)6;/h10-14,16-17,19-20,31,34,36-39,42-45,50H,2-3,15,18,21-30H2,1,4-9H3;10-14,16-17,19-20,25,31,34,36-39,42-45H,2-3,15,18,21-24,26-30H2,1,4-9H3;11-12,15-21H,9-10,13H2,1-8H3;1H4/b;;12-11+;/t2*31-,34-,36+,37+,38+,39?,42?,43-,44?,45+;15-,16+,17-,18+,19+,20?,21-;/m111./s1.
What are the key properties of 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane?
1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane has a molecular weight of 2136.90 g/mol, XLogP of 26.18, 40 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4R,6R,8aS)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]propan-2-one;3-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propyl]-4-methyl-3-(2-phenylethyl)oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propanal;2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,5S)-5-[[(4R,6S)-6-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-3-methyl-4-(2-phenylethyl)oxolan-2-yl]propyl]isoindole-1,3-dione;methane is sourced from PubChem (CID 159924501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).