(2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate

C30H50N2O14 — CID 144823214

About (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate

(2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate (PubChem CID 144823214) has the molecular formula C30H50N2O14 and a molecular weight of 662.73 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate
• PubChem CID: 144823214
• Molecular Formula: C30H50N2O14
• Molecular Weight: 662.73 g/mol
• Exact Mass: 662.33
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate
• SMILES: O=C(CCCCCCCCC(=O)N(CCCO[C@H]1OC(CO)[C@@H](O)C(O)C1O)CCOC1OCCCC1O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C30H50N2O14/c33-19-21-26(39)27(40)28(41)30(45-21)43-17-8-14-31(15-18-44-29-20(34)9-7-16-42-29)22(35)10-5-3-1-2-4-6-11-25(38)46-32-23(36)12-13-24(32)37/h20-21,26-30,33-34,39-41H,1-19H2/t20?,21?,26-,27?,28?,29?,30+/m1/s1
• InChIKey: KRHMNPVZXQNOKG-HQDJCMANSA-N
• XLogP: -0.74
• TPSA: 222.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.73
LogP ≤ 5	-0.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate (CID 144823214) is (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate is O=C(CCCCCCCCC(=O)N(CCCO[C@H]1OC(CO)[C@@H](O)C(O)C1O)CCOC1OCCCC1O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate?

The InChIKey is KRHMNPVZXQNOKG-HQDJCMANSA-N. The full InChI is InChI=1S/C30H50N2O14/c33-19-21-26(39)27(40)28(41)30(45-21)43-17-8-14-31(15-18-44-29-20(34)9-7-16-42-29)22(35)10-5-3-1-2-4-6-11-25(38)46-32-23(36)12-13-24(32)37/h20-21,26-30,33-34,39-41H,1-19H2/t20?,21?,26-,27?,28?,29?,30+/m1/s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate?

(2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate has a molecular weight of 662.73 g/mol, XLogP of -0.74, 20 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate is sourced from PubChem (CID 144823214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).