6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane

C25H51NO8 — CID 159971092

About 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane

6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane (PubChem CID 159971092) has the molecular formula C25H51NO8 and a molecular weight of 493.68 g/mol. Its IUPAC name is 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane.

Molecular Properties

• Compound Name: 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane
• PubChem CID: 159971092
• Molecular Formula: C25H51NO8
• Molecular Weight: 493.68 g/mol
• Exact Mass: 493.36
• IUPAC Name: 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane
• SMILES: CC.CC(C)C.CO[C@@H]1C[C@@H](CO)N(C(=O)CCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2C)C1
• InChI: InChI=1S/C19H35NO8.C4H10.C2H6/c1-12-17(24)18(25)15(11-22)28-19(12)27-7-5-3-4-6-16(23)20-9-14(26-2)8-13(20)10-21;1-4(2)3;1-2/h12-15,17-19,21-22,24-25H,3-11H2,1-2H3;4H,1-3H3;1-2H3/t12?,13-,14+,15?,17+,18-,19+;;/m0../s1
• InChIKey: OEOCDXPYCBPVLB-KPRGEHAQSA-N
• XLogP: 1.94
• TPSA: 128.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.68
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane?

The IUPAC name of 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane (CID 159971092) is 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane.

What is the SMILES notation for 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane?

The canonical SMILES for 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane is CC.CC(C)C.CO[C@@H]1C[C@@H](CO)N(C(=O)CCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2C)C1.

What is the InChIKey of 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane?

The InChIKey is OEOCDXPYCBPVLB-KPRGEHAQSA-N. The full InChI is InChI=1S/C19H35NO8.C4H10.C2H6/c1-12-17(24)18(25)15(11-22)28-19(12)27-7-5-3-4-6-16(23)20-9-14(26-2)8-13(20)10-21;1-4(2)3;1-2/h12-15,17-19,21-22,24-25H,3-11H2,1-2H3;4H,1-3H3;1-2H3/t12?,13-,14+,15?,17+,18-,19+;;/m0../s1.

What are the key properties of 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane?

6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane has a molecular weight of 493.68 g/mol, XLogP of 1.94, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]hexan-1-one;ethane;2-methylpropane is sourced from PubChem (CID 159971092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).