1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane

C128H207Cl2N13O36S2Si4Sn — CID 163625993

IUPAC1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane
SMILESC1CCOC1.CCCC[SnH](CCCC)CCCC.CC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1C.CC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1C.CC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O.CO.CS(=O)(=O)Cl.Cc1cn([C@@H]2O[C@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]3[C@H]2OC(=S)Oc2ccccc2)c(=O)[nH]c1=O.Cc1cn([C@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O.Cc1cn([C@H]2C[C@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@@H]3O2)c(=O)[nH]c1=O.N.O=C(Cl)c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C29H44N2O8SSi2.C22H40N2O6Si2.2C12H18N2O3.C11H16N2O4.C10H14N2O5.C7H5ClO.C7H6O2.C4H8O.3C4H9.CH3ClO2S.CH4O.H3N.Sn.H/c1-17(2)41(18(3)4)34-16-23-24(38-42(39-41,19(5)6)20(7)8)25(37-29(40)35-22-13-11-10-12-14-22)27(36-23)31-15-21(9)26(32)30-28(31)33;1-13(2)31(14(3)4)27-12-19-18(29-32(30-31,15(5)6)16(7)8)10-20(28-19)24-11-17(9)21(25)23-22(24)26;2*1-4-9-7(2)5-10(17-9)14-6-8(3)11(15)13-12(14)16;1-3-8-7(14)4-9(17-8)13-5-6(2)10(15)12-11(13)16;1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8;2*8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;3*1-3-4-2;1-5(2,3)4;1-2;;;/h10-15,17-20,23-25,27H,16H2,1-9H3,(H,30,32,33);11,13-16,18-20H,10,12H2,1-9H3,(H,23,25,26);2*6-7,9-10H,4-5H2,1-3H3,(H,13,15,16);5,7-9,14H,3-4H2,1-2H3,(H,12,15,16);3,6-8,13-14H,2,4H2,1H3,(H,11,15,16);1-5H;1-5H,(H,8,9);1-4H2;3*1,3-4H2,2H3;1H3;2H,1H3;1H3;;/t23-,24-,25+,27+;18-,19+,20-;7-,9+,10-;7-,9-,10+;7-,8+,9-;6-,7+,8-;;;;;;;;;;;/m011011.........../s1
InChIKeyRLOOLCLDPNOVOM-KOHHXQMLSA-N
MW2870.21 g/mol
LogP19.10
Rot. Bonds31

About 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane

1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane (PubChem CID 163625993) has the molecular formula C128H207Cl2N13O36S2Si4Sn and a molecular weight of 2870.21 g/mol. Its IUPAC name is 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane.

Molecular Properties

Compound Name1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane
PubChem CID163625993
Molecular FormulaC128H207Cl2N13O36S2Si4Sn
Molecular Weight2870.21 g/mol
Exact Mass2868.17
IUPAC Name1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane
SMILESC1CCOC1.CCCC[SnH](CCCC)CCCC.CC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1C.CC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1C.CC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O.CO.CS(=O)(=O)Cl.Cc1cn([C@@H]2O[C@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]3[C@H]2OC(=S)Oc2ccccc2)c(=O)[nH]c1=O.Cc1cn([C@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O.Cc1cn([C@H]2C[C@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@@H]3O2)c(=O)[nH]c1=O.N.O=C(Cl)c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C29H44N2O8SSi2.C22H40N2O6Si2.2C12H18N2O3.C11H16N2O4.C10H14N2O5.C7H5ClO.C7H6O2.C4H8O.3C4H9.CH3ClO2S.CH4O.H3N.Sn.H/c1-17(2)41(18(3)4)34-16-23-24(38-42(39-41,19(5)6)20(7)8)25(37-29(40)35-22-13-11-10-12-14-22)27(36-23)31-15-21(9)26(32)30-28(31)33;1-13(2)31(14(3)4)27-12-19-18(29-32(30-31,15(5)6)16(7)8)10-20(28-19)24-11-17(9)21(25)23-22(24)26;2*1-4-9-7(2)5-10(17-9)14-6-8(3)11(15)13-12(14)16;1-3-8-7(14)4-9(17-8)13-5-6(2)10(15)12-11(13)16;1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8;2*8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;3*1-3-4-2;1-5(2,3)4;1-2;;;/h10-15,17-20,23-25,27H,16H2,1-9H3,(H,30,32,33);11,13-16,18-20H,10,12H2,1-9H3,(H,23,25,26);2*6-7,9-10H,4-5H2,1-3H3,(H,13,15,16);5,7-9,14H,3-4H2,1-2H3,(H,12,15,16);3,6-8,13-14H,2,4H2,1H3,(H,11,15,16);1-5H;1-5H,(H,8,9);1-4H2;3*1,3-4H2,2H3;1H3;2H,1H3;1H3;;/t23-,24-,25+,27+;18-,19+,20-;7-,9+,10-;7-,9-,10+;7-,8+,9-;6-,7+,8-;;;;;;;;;;;/m011011.........../s1
InChIKeyRLOOLCLDPNOVOM-KOHHXQMLSA-N
XLogP19.10
TPSA672.04 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds31
Heavy Atoms186
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002870.21
LogP ≤ 519.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane?
The IUPAC name of 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane (CID 163625993) is 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane.
What is the SMILES notation for 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane?
The canonical SMILES for 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane is C1CCOC1.CCCC[SnH](CCCC)CCCC.CC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1C.CC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1C.CC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O.CO.CS(=O)(=O)Cl.Cc1cn([C@@H]2O[C@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]3[C@H]2OC(=S)Oc2ccccc2)c(=O)[nH]c1=O.Cc1cn([C@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O.Cc1cn([C@H]2C[C@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@@H]3O2)c(=O)[nH]c1=O.N.O=C(Cl)c1ccccc1.O=C(O)c1ccccc1.
What is the InChIKey of 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane?
The InChIKey is RLOOLCLDPNOVOM-KOHHXQMLSA-N. The full InChI is InChI=1S/C29H44N2O8SSi2.C22H40N2O6Si2.2C12H18N2O3.C11H16N2O4.C10H14N2O5.C7H5ClO.C7H6O2.C4H8O.3C4H9.CH3ClO2S.CH4O.H3N.Sn.H/c1-17(2)41(18(3)4)34-16-23-24(38-42(39-41,19(5)6)20(7)8)25(37-29(40)35-22-13-11-10-12-14-22)27(36-23)31-15-21(9)26(32)30-28(31)33;1-13(2)31(14(3)4)27-12-19-18(29-32(30-31,15(5)6)16(7)8)10-20(28-19)24-11-17(9)21(25)23-22(24)26;2*1-4-9-7(2)5-10(17-9)14-6-8(3)11(15)13-12(14)16;1-3-8-7(14)4-9(17-8)13-5-6(2)10(15)12-11(13)16;1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8;2*8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;3*1-3-4-2;1-5(2,3)4;1-2;;;/h10-15,17-20,23-25,27H,16H2,1-9H3,(H,30,32,33);11,13-16,18-20H,10,12H2,1-9H3,(H,23,25,26);2*6-7,9-10H,4-5H2,1-3H3,(H,13,15,16);5,7-9,14H,3-4H2,1-2H3,(H,12,15,16);3,6-8,13-14H,2,4H2,1H3,(H,11,15,16);1-5H;1-5H,(H,8,9);1-4H2;3*1,3-4H2,2H3;1H3;2H,1H3;1H3;;/t23-,24-,25+,27+;18-,19+,20-;7-,9+,10-;7-,9-,10+;7-,8+,9-;6-,7+,8-;;;;;;;;;;;/m011011.........../s1.
What are the key properties of 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane?
1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane has a molecular weight of 2870.21 g/mol, XLogP of 19.10, 31 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6aS,8R,9R,9aS)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;1-[(6aS,8R,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione;azane;benzoic acid;benzoyl chloride;1-[(2R,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methanesulfonyl chloride;methanol;oxolane;tributylstannane is sourced from PubChem (CID 163625993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).