2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane

C38H62Ge2O14 — CID 23257288

IUPAC2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane
SMILESCOCOC[C@H]1O[C@H](C#CC#C[C@H]2O[C@H](COCOC)[C@@H](C#C[Ge](C)(C)C)[C@H](OCOC)[C@H]2OCOC)[C@H](OCOC)[C@@H](OCOC)[C@@H]1C#C[Ge](C)(C)C
InChIInChI=1S/C38H62Ge2O14/c1-39(2,3)19-17-29-33(21-47-23-41-7)53-31(37(51-27-45-11)35(29)49-25-43-9)15-13-14-16-32-38(52-28-46-12)36(50-26-44-10)30(18-20-40(4,5)6)34(54-32)22-48-24-42-8/h29-38H,21-28H2,1-12H3/t29-,30-,31-,32-,33-,34-,35+,36+,37+,38+/m1/s1
InChIKeyZYNSDXGXINLTMB-NOJAZMCSSA-N
MW888.12 g/mol
LogP2.72
Rot. Bonds20

About 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane

2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane (PubChem CID 23257288) has the molecular formula C38H62Ge2O14 and a molecular weight of 888.12 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane
PubChem CID23257288
Molecular FormulaC38H62Ge2O14
Molecular Weight888.12 g/mol
Exact Mass890.26
IUPAC Name2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane
SMILESCOCOC[C@H]1O[C@H](C#CC#C[C@H]2O[C@H](COCOC)[C@@H](C#C[Ge](C)(C)C)[C@H](OCOC)[C@H]2OCOC)[C@H](OCOC)[C@@H](OCOC)[C@@H]1C#C[Ge](C)(C)C
InChIInChI=1S/C38H62Ge2O14/c1-39(2,3)19-17-29-33(21-47-23-41-7)53-31(37(51-27-45-11)35(29)49-25-43-9)15-13-14-16-32-38(52-28-46-12)36(50-26-44-10)30(18-20-40(4,5)6)34(54-32)22-48-24-42-8/h29-38H,21-28H2,1-12H3/t29-,30-,31-,32-,33-,34-,35+,36+,37+,38+/m1/s1
InChIKeyZYNSDXGXINLTMB-NOJAZMCSSA-N
XLogP2.72
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.12
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane 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 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane?
The IUPAC name of 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane (CID 23257288) is 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane.
What is the SMILES notation for 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane?
The canonical SMILES for 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane is COCOC[C@H]1O[C@H](C#CC#C[C@H]2O[C@H](COCOC)[C@@H](C#C[Ge](C)(C)C)[C@H](OCOC)[C@H]2OCOC)[C@H](OCOC)[C@@H](OCOC)[C@@H]1C#C[Ge](C)(C)C.
What is the InChIKey of 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane?
The InChIKey is ZYNSDXGXINLTMB-NOJAZMCSSA-N. The full InChI is InChI=1S/C38H62Ge2O14/c1-39(2,3)19-17-29-33(21-47-23-41-7)53-31(37(51-27-45-11)35(29)49-25-43-9)15-13-14-16-32-38(52-28-46-12)36(50-26-44-10)30(18-20-40(4,5)6)34(54-32)22-48-24-42-8/h29-38H,21-28H2,1-12H3/t29-,30-,31-,32-,33-,34-,35+,36+,37+,38+/m1/s1.
What are the key properties of 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane?
2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane has a molecular weight of 888.12 g/mol, XLogP of 2.72, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R,6R)-6-[4-[(2R,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylgermylethynyl)oxan-2-yl]buta-1,3-diynyl]-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylgermane is sourced from PubChem (CID 23257288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).