N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide

C41H70N4O16 — CID 146620952

About N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide

N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide (PubChem CID 146620952) has the molecular formula C41H70N4O16 and a molecular weight of 875.02 g/mol. Its IUPAC name is N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide.

Molecular Properties

• Compound Name: N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide
• PubChem CID: 146620952
• Molecular Formula: C41H70N4O16
• Molecular Weight: 875.02 g/mol
• Exact Mass: 874.48
• IUPAC Name: N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide
• SMILES: CCCCCCCCCC(=O)NC1C(OC2OC(C[C@@H](O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)C(O)C(O)C2NC(=O)CCCCCCCCC)OC(CO)C(O)C1O
• InChI: InChI=1S/C41H70N4O16/c1-3-5-7-9-11-13-15-17-26(48)42-29-33(53)31(51)24(21-23(47)37-35(55)36(56)38(60-37)45-20-19-28(50)44-41(45)57)58-39(29)61-40-30(34(54)32(52)25(22-46)59-40)43-27(49)18-16-14-12-10-8-6-4-2/h19-20,23-25,29-40,46-47,51-56H,3-18,21-22H2,1-2H3,(H,42,48)(H,43,49)(H,44,50,57)/t23-,24?,25?,29?,30?,31?,32?,33?,34?,35+,36-,37-,38-,39?,40?/m1/s1
• InChIKey: HIWLPEPBZSXYMJ-SRBCRYBSSA-N
• XLogP: -0.94
• TPSA: 311.82 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.02
LogP ≤ 5	-0.94
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide?

The IUPAC name of N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide (CID 146620952) is N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide.

What is the SMILES notation for N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide?

The canonical SMILES for N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide is CCCCCCCCCC(=O)NC1C(OC2OC(C[C@@H](O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)C(O)C(O)C2NC(=O)CCCCCCCCC)OC(CO)C(O)C1O.

What is the InChIKey of N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide?

The InChIKey is HIWLPEPBZSXYMJ-SRBCRYBSSA-N. The full InChI is InChI=1S/C41H70N4O16/c1-3-5-7-9-11-13-15-17-26(48)42-29-33(53)31(51)24(21-23(47)37-35(55)36(56)38(60-37)45-20-19-28(50)44-41(45)57)58-39(29)61-40-30(34(54)32(52)25(22-46)59-40)43-27(49)18-16-14-12-10-8-6-4-2/h19-20,23-25,29-40,46-47,51-56H,3-18,21-22H2,1-2H3,(H,42,48)(H,43,49)(H,44,50,57)/t23-,24?,25?,29?,30?,31?,32?,33?,34?,35+,36-,37-,38-,39?,40?/m1/s1.

What are the key properties of N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide?

N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide has a molecular weight of 875.02 g/mol, XLogP of -0.94, 25 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(decanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]decanamide is sourced from PubChem (CID 146620952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).