N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide

C17H27NO11 — CID 89140828

About N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide

N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide (PubChem CID 89140828) has the molecular formula C17H27NO11 and a molecular weight of 421.40 g/mol. Its IUPAC name is N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide.

Molecular Properties

• Compound Name: N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide
• PubChem CID: 89140828
• Molecular Formula: C17H27NO11
• Molecular Weight: 421.40 g/mol
• Exact Mass: 421.16
• IUPAC Name: N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide
• SMILES: C#CCN(C(C)=O)[C@@H]1O[C@@H](CO)[C@@H](OC2OC(CO)[C@@H](O)[C@H](O)[C@@H]2O)C(O)C1O
• InChI: InChI=1S/C17H27NO11/c1-3-4-18(7(2)21)16-13(25)12(24)15(9(6-20)27-16)29-17-14(26)11(23)10(22)8(5-19)28-17/h1,8-17,19-20,22-26H,4-6H2,2H3/t8?,9-,10+,11-,12?,13?,14-,15+,16+,17?/m0/s1
• InChIKey: HIZBDEBVLOKVOC-KRDZFABXSA-N
• XLogP: -4.91
• TPSA: 189.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	421.40
LogP ≤ 5	-4.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide?

The IUPAC name of N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide (CID 89140828) is N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide.

What is the SMILES notation for N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide?

The canonical SMILES for N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide is C#CCN(C(C)=O)[C@@H]1O[C@@H](CO)[C@@H](OC2OC(CO)[C@@H](O)[C@H](O)[C@@H]2O)C(O)C1O.

What is the InChIKey of N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide?

The InChIKey is HIZBDEBVLOKVOC-KRDZFABXSA-N. The full InChI is InChI=1S/C17H27NO11/c1-3-4-18(7(2)21)16-13(25)12(24)15(9(6-20)27-16)29-17-14(26)11(23)10(22)8(5-19)28-17/h1,8-17,19-20,22-26H,4-6H2,2H3/t8?,9-,10+,11-,12?,13?,14-,15+,16+,17?/m0/s1.

What are the key properties of N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide?

N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide has a molecular weight of 421.40 g/mol, XLogP of -4.91, 6 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 89140828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).