[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate

C90H186O13Si6 — CID 10920407

About [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate

[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate (PubChem CID 10920407) has the molecular formula C90H186O13Si6 and a molecular weight of 1644.98 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate
• PubChem CID: 10920407
• Molecular Formula: C90H186O13Si6
• Molecular Weight: 1644.98 g/mol
• Exact Mass: 1643.25
• IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate
• SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
• InChI: InChI=1S/C90H186O13Si6/c1-23-27-31-35-39-43-47-51-55-59-63-67-71-77(72-68-64-60-56-52-48-44-40-36-32-28-24-2)87(91)93-75-79-81(98-104(5,6)7)83(100-106(11,12)13)85(102-108(17,18)19)89(95-79)97-90-86(103-109(20,21)22)84(101-107(14,15)16)82(99-105(8,9)10)80(96-90)76-94-88(92)78(73-69-65-61-57-53-49-45-41-37-33-29-25-3)74-70-66-62-58-54-50-46-42-38-34-30-26-4/h77-86,89-90H,23-76H2,1-22H3/t79-,80-,81-,82-,83+,84+,85-,86-,89-,90-/m1/s1
• InChIKey: KXVCTLDUVIUPKI-HIGXCPGVSA-N
• XLogP: 28.46
• TPSA: 135.67 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 72
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.98
LogP ≤ 5	28.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate?

The IUPAC name of [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate (CID 10920407) is [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate?

The canonical SMILES for [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate is CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.

What is the InChIKey of [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate?

The InChIKey is KXVCTLDUVIUPKI-HIGXCPGVSA-N. The full InChI is InChI=1S/C90H186O13Si6/c1-23-27-31-35-39-43-47-51-55-59-63-67-71-77(72-68-64-60-56-52-48-44-40-36-32-28-24-2)87(91)93-75-79-81(98-104(5,6)7)83(100-106(11,12)13)85(102-108(17,18)19)89(95-79)97-90-86(103-109(20,21)22)84(101-107(14,15)16)82(99-105(8,9)10)80(96-90)76-94-88(92)78(73-69-65-61-57-53-49-45-41-37-33-29-25-3)74-70-66-62-58-54-50-46-42-38-34-30-26-4/h77-86,89-90H,23-76H2,1-22H3/t79-,80-,81-,82-,83+,84+,85-,86-,89-,90-/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate?

[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate has a molecular weight of 1644.98 g/mol, XLogP of 28.46, 72 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(2-tetradecylhexadecanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 2-tetradecylhexadecanoate is sourced from PubChem (CID 10920407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).