potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate

C46H90F3KN2O12 — CID 157173859

About potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate

potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate (PubChem CID 157173859) has the molecular formula C46H90F3KN2O12 and a molecular weight of 959.32 g/mol. Its IUPAC name is potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate.

Molecular Properties

• Compound Name: potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate
• PubChem CID: 157173859
• Molecular Formula: C46H90F3KN2O12
• Molecular Weight: 959.32 g/mol
• Exact Mass: 958.61
• IUPAC Name: potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate
• SMILES: C.C.C/C=C\O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OCCCCCCCCCC)[C@H]1N.C=CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OCCCCCCCCCC)[C@H]1NC(=O)C(F)(F)F.CC(C)(C)[O-].[K+]
• InChI: InChI=1S/C21H36F3NO6.C19H37NO5.C4H9O.2CH4.K/c1-3-5-6-7-8-9-10-11-13-29-18-16(25-20(28)21(22,23)24)19(30-12-4-2)31-15(14-26)17(18)27;1-3-5-6-7-8-9-10-11-13-23-18-16(20)19(24-12-4-2)25-15(14-21)17(18)22;1-4(2,3)5;;;/h4,15-19,26-27H,2-3,5-14H2,1H3,(H,25,28);4,12,15-19,21-22H,3,5-11,13-14,20H2,1-2H3;1-3H3;2*1H4;/q;;-1;;;+1/b;12-4-;;;;/t2*15-,16-,17-,18-,19+;;;;/m11..../s1
• InChIKey: ANTZPTWUMMLVDK-WIUNCCCCSA-N
• XLogP: 3.73
• TPSA: 214.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 28
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	959.32
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate?

The IUPAC name of potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate (CID 157173859) is potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate.

What is the SMILES notation for potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate?

The canonical SMILES for potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate is C.C.C/C=C\O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OCCCCCCCCCC)[C@H]1N.C=CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OCCCCCCCCCC)[C@H]1NC(=O)C(F)(F)F.CC(C)(C)[O-].[K+].

What is the InChIKey of potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate?

The InChIKey is ANTZPTWUMMLVDK-WIUNCCCCSA-N. The full InChI is InChI=1S/C21H36F3NO6.C19H37NO5.C4H9O.2CH4.K/c1-3-5-6-7-8-9-10-11-13-29-18-16(25-20(28)21(22,23)24)19(30-12-4-2)31-15(14-26)17(18)27;1-3-5-6-7-8-9-10-11-13-23-18-16(20)19(24-12-4-2)25-15(14-21)17(18)22;1-4(2,3)5;;;/h4,15-19,26-27H,2-3,5-14H2,1H3,(H,25,28);4,12,15-19,21-22H,3,5-11,13-14,20H2,1-2H3;1-3H3;2*1H4;/q;;-1;;;+1/b;12-4-;;;;/t2*15-,16-,17-,18-,19+;;;;/m11..../s1.

What are the key properties of potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate?

potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate has a molecular weight of 959.32 g/mol, XLogP of 3.73, 28 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate is sourced from PubChem (CID 157173859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).