carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one

C101H174O25P2Si2 — CID 159124201

About carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one

carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one (PubChem CID 159124201) has the molecular formula C101H174O25P2Si2 and a molecular weight of 1906.60 g/mol. Its IUPAC name is carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one.

Molecular Properties

• Compound Name: carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one
• PubChem CID: 159124201
• Molecular Formula: C101H174O25P2Si2
• Molecular Weight: 1906.60 g/mol
• Exact Mass: 1905.14
• IUPAC Name: carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one
• SMILES: C=C1C[C@H](CC[C@@]23C[C@H]4O[C@H]5C(O2)C(C)[C@H](CCCO)O[C@H]5[C@H]4O3)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H](C[C@H](C)CO[Si](CC)(CC)CC)[C@H](C)C2CC(=O)CP(C)(=O)OC)O1.C=C1C[C@H](CC[C@@]23C[C@H]4O[C@H]5C(O2)C(C)[C@H](CCCO)O[C@H]5[C@H]4O3)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H](C[C@H](C)CO[Si](CC)(CC)CC)[C@H](C)C2CC)O1.COP(C)(C)=O.O=C=O
• InChI: InChI=1S/C50H85O12PSi.C47H80O9Si.C3H9O2P.CO2/c1-12-64(13-2,14-3)55-28-30(4)22-42-34(8)39(25-36(52)29-63(11,53)54-10)44(58-42)26-43-33(7)31(5)23-37(57-43)17-18-40-32(6)24-38(56-40)19-20-50-27-45-47(62-50)49-48(60-45)46(61-50)35(9)41(59-49)16-15-21-51;1-11-36-32(9)39(22-28(5)27-49-57(12-2,13-3)14-4)52-41(36)25-40-31(8)29(6)23-34(51-40)17-18-37-30(7)24-35(50-37)19-20-47-26-42-44(56-47)46-45(54-42)43(55-47)33(10)38(53-46)16-15-21-48;1-5-6(2,3)4;2-1-3/h30-31,34-35,37-49,51H,6-7,12-29H2,1-5,8-11H3;28-29,32-46,48H,7-8,11-27H2,1-6,9-10H3;1-3H3;/t30-,31+,34+,35?,37-,38-,39?,40?,41-,42+,43?,44-,45+,46?,47-,48-,49-,50+,63?;28-,29+,32+,33?,34-,35-,36?,37?,38-,39+,40?,41-,42+,43?,44-,45-,46-,47+;;/m00../s1
• InChIKey: KGBRQVWUWCQVTH-RXSNFHIGSA-N
• XLogP: 19.30
• TPSA: 291.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 45
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1906.60
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one?

The IUPAC name of carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one (CID 159124201) is carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one.

What is the SMILES notation for carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one?

The canonical SMILES for carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one is C=C1C[C@H](CC[C@@]23C[C@H]4O[C@H]5C(O2)C(C)[C@H](CCCO)O[C@H]5[C@H]4O3)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H](C[C@H](C)CO[Si](CC)(CC)CC)[C@H](C)C2CC(=O)CP(C)(=O)OC)O1.C=C1C[C@H](CC[C@@]23C[C@H]4O[C@H]5C(O2)C(C)[C@H](CCCO)O[C@H]5[C@H]4O3)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H](C[C@H](C)CO[Si](CC)(CC)CC)[C@H](C)C2CC)O1.COP(C)(C)=O.O=C=O.

What is the InChIKey of carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one?

The InChIKey is KGBRQVWUWCQVTH-RXSNFHIGSA-N. The full InChI is InChI=1S/C50H85O12PSi.C47H80O9Si.C3H9O2P.CO2/c1-12-64(13-2,14-3)55-28-30(4)22-42-34(8)39(25-36(52)29-63(11,53)54-10)44(58-42)26-43-33(7)31(5)23-37(57-43)17-18-40-32(6)24-38(56-40)19-20-50-27-45-47(62-50)49-48(60-45)46(61-50)35(9)41(59-49)16-15-21-51;1-11-36-32(9)39(22-28(5)27-49-57(12-2,13-3)14-4)52-41(36)25-40-31(8)29(6)23-34(51-40)17-18-37-30(7)24-35(50-37)19-20-47-26-42-44(56-47)46-45(54-42)43(55-47)33(10)38(53-46)16-15-21-48;1-5-6(2,3)4;2-1-3/h30-31,34-35,37-49,51H,6-7,12-29H2,1-5,8-11H3;28-29,32-46,48H,7-8,11-27H2,1-6,9-10H3;1-3H3;/t30-,31+,34+,35?,37-,38-,39?,40?,41-,42+,43?,44-,45+,46?,47-,48-,49-,50+,63?;28-,29+,32+,33?,34-,35-,36?,37?,38-,39+,40?,41-,42+,43?,44-,45-,46-,47+;;/m00../s1.

What are the key properties of carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one?

carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one has a molecular weight of 1906.60 g/mol, XLogP of 19.30, 45 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;dimethylphosphoryloxymethane;3-[(1R,3S,4R,6S,9S,11R)-1-[2-[(2S)-5-[2-[(2S,4R)-6-[[(2S,4R,5R)-3-ethyl-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]ethyl]-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-6-yl]propan-1-ol;1-[(2S,4R,5R)-2-[[(4R,6S)-6-[2-[(5S)-5-[2-[(1R,3S,4R,6S,9S,11R)-6-(3-hydroxypropyl)-7-methyl-2,5,10,13-tetraoxatetracyclo[6.4.1.03,11.04,9]tridecan-1-yl]ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyl-5-[(2S)-2-methyl-3-triethylsilyloxypropyl]oxolan-3-yl]-3-[methoxy(methyl)phosphoryl]propan-2-one is sourced from PubChem (CID 159124201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).