[(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate

C38H56GeO14Si — CID 23257287

About [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate

[(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate (PubChem CID 23257287) has the molecular formula C38H56GeO14Si and a molecular weight of 837.55 g/mol. Its IUPAC name is [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate
• PubChem CID: 23257287
• Molecular Formula: C38H56GeO14Si
• Molecular Weight: 837.55 g/mol
• Exact Mass: 838.27
• IUPAC Name: [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate
• SMILES: COCOC[C@H]1O[C@H](C#CC#C[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C#C[Si](C)(C)C)O[C@@H]2COC(C)=O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1C#C[Ge](C)(C)C
• InChI: InChI=1S/C38H56GeO14Si/c1-26(40)47-22-34-29(36(50-27(2)41)38(51-28(3)42)32(53-34)18-20-54(10,11)12)15-13-14-16-31-37(49-25-45-9)35(48-24-44-8)30(17-19-39(4,5)6)33(52-31)21-46-23-43-7/h29-38H,21-25H2,1-12H3/t29-,30-,31-,32-,33-,34-,35+,36+,37+,38+/m1/s1
• InChIKey: LMVQDQSIVLVZJK-NOJAZMCSSA-N
• XLogP: 2.55
• TPSA: 152.74 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.55
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate?

The IUPAC name of [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate (CID 23257287) is [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate.

What is the SMILES notation for [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate?

The canonical SMILES for [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate is COCOC[C@H]1O[C@H](C#CC#C[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C#C[Si](C)(C)C)O[C@@H]2COC(C)=O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1C#C[Ge](C)(C)C.

What is the InChIKey of [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate?

The InChIKey is LMVQDQSIVLVZJK-NOJAZMCSSA-N. The full InChI is InChI=1S/C38H56GeO14Si/c1-26(40)47-22-34-29(36(50-27(2)41)38(51-28(3)42)32(53-34)18-20-54(10,11)12)15-13-14-16-31-37(49-25-45-9)35(48-24-44-8)30(17-19-39(4,5)6)33(52-31)21-46-23-43-7/h29-38H,21-25H2,1-12H3/t29-,30-,31-,32-,33-,34-,35+,36+,37+,38+/m1/s1.

What are the key properties of [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate?

[(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate has a molecular weight of 837.55 g/mol, XLogP of 2.55, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4S,5R,6R)-4,5-diacetyloxy-3-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate is sourced from PubChem (CID 23257287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).