2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate

C32H50N6O15 — CID 131976825

About 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate

2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate (PubChem CID 131976825) has the molecular formula C32H50N6O15 and a molecular weight of 758.78 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate.

Molecular Properties

• Compound Name: 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate
• PubChem CID: 131976825
• Molecular Formula: C32H50N6O15
• Molecular Weight: 758.78 g/mol
• Exact Mass: 758.33
• IUPAC Name: 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate
• SMILES: CC(O)COC(=O)CCn1c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCOC(C)(C)C)c2=O)c(=O)n(CCC(=O)OC(C)(C)C)c1=O
• InChI: InChI=1S/C32H50N6O15/c1-21(40)20-51-23(42)9-12-34-25(44)33(26(45)35(27(34)46)13-10-24(43)53-32(5,6)7)11-8-22(41)50-18-15-37-28(47)36(14-17-39)29(48)38(30(37)49)16-19-52-31(2,3)4/h21,39-40H,8-20H2,1-7H3
• InChIKey: OWVXDAYPEKUGRY-UHFFFAOYSA-N
• XLogP: -2.86
• TPSA: 260.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.78
LogP ≤ 5	-2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?

The IUPAC name of 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate (CID 131976825) is 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate.

What is the SMILES notation for 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?

The canonical SMILES for 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate is CC(O)COC(=O)CCn1c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCOC(C)(C)C)c2=O)c(=O)n(CCC(=O)OC(C)(C)C)c1=O.

What is the InChIKey of 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?

The InChIKey is OWVXDAYPEKUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N6O15/c1-21(40)20-51-23(42)9-12-34-25(44)33(26(45)35(27(34)46)13-10-24(43)53-32(5,6)7)11-8-22(41)50-18-15-37-28(47)36(14-17-39)29(48)38(30(37)49)16-19-52-31(2,3)4/h21,39-40H,8-20H2,1-7H3.

What are the key properties of 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?

2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate has a molecular weight of 758.78 g/mol, XLogP of -2.86, 19 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-[3-[3-(2-hydroxypropoxy)-3-oxopropyl]-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate is sourced from PubChem (CID 131976825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).