[2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane

C135H243BrF6IN3O29S2Si4Sn2 — CID 158896745

IUPAC[2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane
SMILESC/C(I)=C\[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)CC(=O)O1.CCCC[Sn](/C=C/[C@@H](CCC)OC)(CCCC)CCCC.CCC[C@H](/C=C/C(C)=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)CC(=O)O1)OC.CCC[C@H](/C=C/C(C)=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)C[C@](Cc2nc(OS(=O)(=O)C(F)(F)F)co2)(OC)O1)OC.CCC[C@H](/C=C/C(C)=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)C[C@](Cc2nc([Sn](C)(C)C)co2)(OC)O1)OC.O=S(=O)(Oc1coc(CBr)n1)C(F)(F)F
InChIInChI=1S/C32H54F3NO9SSi.C31H54NO6Si.C26H48O5Si.C19H35IO4Si.C7H13O.C5H3BrF3NO4S.3C4H9.3CH3.2Sn/c1-11-12-26(40-9)14-13-24(8)15-28(45-47(21(2)3,22(4)5)23(6)7)27-16-25(19-37)17-31(41-10,43-27)18-29-36-30(20-42-29)44-46(38,39)32(33,34)35;1-11-12-27(34-9)14-13-25(8)17-29(38-39(22(2)3,23(4)5)24(6)7)28-18-26(21-33)19-31(35-10,37-28)20-30-32-15-16-36-30;1-10-11-23(29-9)13-12-21(8)14-25(24-15-22(17-27)16-26(28)30-24)31-32(18(2)3,19(4)5)20(6)7;1-12(2)25(13(3)4,14(5)6)24-18(8-15(7)20)17-9-16(11-21)10-19(22)23-17;1-4-6-7(5-2)8-3;6-1-3-10-4(2-13-3)14-15(11,12)5(7,8)9;3*1-3-4-2;;;;;/h13-15,20-23,25-28,37H,11-12,16-19H2,1-10H3;13-14,16-17,22-24,26-29,33H,11-12,18-21H2,1-10H3;12-14,18-20,22-25,27H,10-11,15-17H2,1-9H3;8,12-14,16-18,21H,9-11H2,1-7H3;2,5,7H,4,6H2,1,3H3;2H,1H2;3*1,3-4H2,2H3;3*1H3;;/b14-13+,24-15+;14-13+,25-17+;13-12+,21-14+;15-8+;;;;;;;;;;/t25-,26-,27-,28-,31+;26-,27-,28-,29-,31+;22-,23-,24-,25-;16-,17-,18-;7-;;;;;;;;;/m11110........./s1
InChIKeyJEXTTZFIGPGACE-OKSSZMJGSA-N
MW3107.12 g/mol
LogP35.15
Rot. Bonds73

About [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane

[2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane (PubChem CID 158896745) has the molecular formula C135H243BrF6IN3O29S2Si4Sn2 and a molecular weight of 3107.12 g/mol. Its IUPAC name is [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane.

Molecular Properties

Compound Name[2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane
PubChem CID158896745
Molecular FormulaC135H243BrF6IN3O29S2Si4Sn2
Molecular Weight3107.12 g/mol
Exact Mass3106.23
IUPAC Name[2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane
SMILESC/C(I)=C\[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)CC(=O)O1.CCCC[Sn](/C=C/[C@@H](CCC)OC)(CCCC)CCCC.CCC[C@H](/C=C/C(C)=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)CC(=O)O1)OC.CCC[C@H](/C=C/C(C)=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)C[C@](Cc2nc(OS(=O)(=O)C(F)(F)F)co2)(OC)O1)OC.CCC[C@H](/C=C/C(C)=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)C[C@](Cc2nc([Sn](C)(C)C)co2)(OC)O1)OC.O=S(=O)(Oc1coc(CBr)n1)C(F)(F)F
InChIInChI=1S/C32H54F3NO9SSi.C31H54NO6Si.C26H48O5Si.C19H35IO4Si.C7H13O.C5H3BrF3NO4S.3C4H9.3CH3.2Sn/c1-11-12-26(40-9)14-13-24(8)15-28(45-47(21(2)3,22(4)5)23(6)7)27-16-25(19-37)17-31(41-10,43-27)18-29-36-30(20-42-29)44-46(38,39)32(33,34)35;1-11-12-27(34-9)14-13-25(8)17-29(38-39(22(2)3,23(4)5)24(6)7)28-18-26(21-33)19-31(35-10,37-28)20-30-32-15-16-36-30;1-10-11-23(29-9)13-12-21(8)14-25(24-15-22(17-27)16-26(28)30-24)31-32(18(2)3,19(4)5)20(6)7;1-12(2)25(13(3)4,14(5)6)24-18(8-15(7)20)17-9-16(11-21)10-19(22)23-17;1-4-6-7(5-2)8-3;6-1-3-10-4(2-13-3)14-15(11,12)5(7,8)9;3*1-3-4-2;;;;;/h13-15,20-23,25-28,37H,11-12,16-19H2,1-10H3;13-14,16-17,22-24,26-29,33H,11-12,18-21H2,1-10H3;12-14,18-20,22-25,27H,10-11,15-17H2,1-9H3;8,12-14,16-18,21H,9-11H2,1-7H3;2,5,7H,4,6H2,1,3H3;2H,1H2;3*1,3-4H2,2H3;3*1H3;;/b14-13+,24-15+;14-13+,25-17+;13-12+,21-14+;15-8+;;;;;;;;;;/t25-,26-,27-,28-,31+;26-,27-,28-,29-,31+;22-,23-,24-,25-;16-,17-,18-;7-;;;;;;;;;/m11110........./s1
InChIKeyJEXTTZFIGPGACE-OKSSZMJGSA-N
XLogP35.15
TPSA409.11 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds73
Heavy Atoms183
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003107.12
LogP ≤ 535.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane?
The IUPAC name of [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane (CID 158896745) is [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane.
What is the SMILES notation for [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane?
The canonical SMILES for [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane is C/C(I)=C\[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)CC(=O)O1.CCCC[Sn](/C=C/[C@@H](CCC)OC)(CCCC)CCCC.CCC[C@H](/C=C/C(C)=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)CC(=O)O1)OC.CCC[C@H](/C=C/C(C)=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)C[C@](Cc2nc(OS(=O)(=O)C(F)(F)F)co2)(OC)O1)OC.CCC[C@H](/C=C/C(C)=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)C[C@](Cc2nc([Sn](C)(C)C)co2)(OC)O1)OC.O=S(=O)(Oc1coc(CBr)n1)C(F)(F)F.
What is the InChIKey of [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane?
The InChIKey is JEXTTZFIGPGACE-OKSSZMJGSA-N. The full InChI is InChI=1S/C32H54F3NO9SSi.C31H54NO6Si.C26H48O5Si.C19H35IO4Si.C7H13O.C5H3BrF3NO4S.3C4H9.3CH3.2Sn/c1-11-12-26(40-9)14-13-24(8)15-28(45-47(21(2)3,22(4)5)23(6)7)27-16-25(19-37)17-31(41-10,43-27)18-29-36-30(20-42-29)44-46(38,39)32(33,34)35;1-11-12-27(34-9)14-13-25(8)17-29(38-39(22(2)3,23(4)5)24(6)7)28-18-26(21-33)19-31(35-10,37-28)20-30-32-15-16-36-30;1-10-11-23(29-9)13-12-21(8)14-25(24-15-22(17-27)16-26(28)30-24)31-32(18(2)3,19(4)5)20(6)7;1-12(2)25(13(3)4,14(5)6)24-18(8-15(7)20)17-9-16(11-21)10-19(22)23-17;1-4-6-7(5-2)8-3;6-1-3-10-4(2-13-3)14-15(11,12)5(7,8)9;3*1-3-4-2;;;;;/h13-15,20-23,25-28,37H,11-12,16-19H2,1-10H3;13-14,16-17,22-24,26-29,33H,11-12,18-21H2,1-10H3;12-14,18-20,22-25,27H,10-11,15-17H2,1-9H3;8,12-14,16-18,21H,9-11H2,1-7H3;2,5,7H,4,6H2,1,3H3;2H,1H2;3*1,3-4H2,2H3;3*1H3;;/b14-13+,24-15+;14-13+,25-17+;13-12+,21-14+;15-8+;;;;;;;;;;/t25-,26-,27-,28-,31+;26-,27-,28-,29-,31+;22-,23-,24-,25-;16-,17-,18-;7-;;;;;;;;;/m11110........./s1.
What are the key properties of [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane?
[2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane has a molecular weight of 3107.12 g/mol, XLogP of 35.15, 73 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(E,1R)-3-iodo-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one;[2-[[(2S,4R,6R)-4-(hydroxymethyl)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-yl]methyl]-1,3-oxazol-4-yl] trifluoromethanesulfonate;(4R,6R)-4-(hydroxymethyl)-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]oxan-2-one;[(2S,4R,6R)-2-methoxy-6-[(1R,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol;tributyl-[(E,3R)-3-methoxyhex-1-enyl]stannane is sourced from PubChem (CID 158896745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).