[5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen

C74H122N2O16 — CID 167660185

About [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen

[5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen (PubChem CID 167660185) has the molecular formula C74H122N2O16 and a molecular weight of 1295.79 g/mol. Its IUPAC name is [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen.

Molecular Properties

• Compound Name: [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen
• PubChem CID: 167660185
• Molecular Formula: C74H122N2O16
• Molecular Weight: 1295.79 g/mol
• Exact Mass: 1294.88
• IUPAC Name: [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen
• SMILES: C.CC(=O)NC1C(OCCCCCCCCCCCCC(O)CO)OC(COC(C)=O)C(C)C1C.COc1ccc(C(OCC(O)CCCCCCCCCCCCOC2OC(COC(C)=O)C(C)C(C)C2NC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1.[H][H]
• InChI: InChI=1S/C47H67NO9.C26H49NO7.CH4.H2/c1-34-35(2)45(48-36(3)49)46(57-44(34)33-55-37(4)50)54-31-19-14-12-10-8-7-9-11-13-18-22-41(51)32-56-47(38-20-16-15-17-21-38,39-23-27-42(52-5)28-24-39)40-25-29-43(53-6)30-26-40;1-19-20(2)25(27-21(3)29)26(34-24(19)18-33-22(4)30)32-16-14-12-10-8-6-5-7-9-11-13-15-23(31)17-28;;/h15-17,20-21,23-30,34-35,41,44-46,51H,7-14,18-19,22,31-33H2,1-6H3,(H,48,49);19-20,23-26,28,31H,5-18H2,1-4H3,(H,27,29);1H4;1H
• InChIKey: RVMZRDSSEGKANB-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 236.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 43
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1295.79
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen?

The IUPAC name of [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen (CID 167660185) is [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen.

What is the SMILES notation for [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen?

The canonical SMILES for [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen is C.CC(=O)NC1C(OCCCCCCCCCCCCC(O)CO)OC(COC(C)=O)C(C)C1C.COc1ccc(C(OCC(O)CCCCCCCCCCCCOC2OC(COC(C)=O)C(C)C(C)C2NC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1.[H][H].

What is the InChIKey of [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen?

The InChIKey is RVMZRDSSEGKANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H67NO9.C26H49NO7.CH4.H2/c1-34-35(2)45(48-36(3)49)46(57-44(34)33-55-37(4)50)54-31-19-14-12-10-8-7-9-11-13-18-22-41(51)32-56-47(38-20-16-15-17-21-38,39-23-27-42(52-5)28-24-39)40-25-29-43(53-6)30-26-40;1-19-20(2)25(27-21(3)29)26(34-24(19)18-33-22(4)30)32-16-14-12-10-8-6-5-7-9-11-13-15-23(31)17-28;;/h15-17,20-21,23-30,34-35,41,44-46,51H,7-14,18-19,22,31-33H2,1-6H3,(H,48,49);19-20,23-26,28,31H,5-18H2,1-4H3,(H,27,29);1H4;1H.

What are the key properties of [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen?

[5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen has a molecular weight of 1295.79 g/mol, XLogP of 13.34, 43 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [5-acetamido-6-[14-[bis(4-methoxyphenyl)-phenylmethoxy]-13-hydroxytetradecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;[5-acetamido-6-(13,14-dihydroxytetradecoxy)-3,4-dimethyloxan-2-yl]methyl acetate;methane;molecular hydrogen is sourced from PubChem (CID 167660185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).