(1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C20H33NO11 — CID 101155930

About (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 101155930) has the molecular formula C20H33NO11 and a molecular weight of 463.48 g/mol. Its IUPAC name is (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

• Compound Name: (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
• PubChem CID: 101155930
• Molecular Formula: C20H33NO11
• Molecular Weight: 463.48 g/mol
• Exact Mass: 463.21
• IUPAC Name: (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
• SMILES: O=C(NC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)[C@@H]1C[C@H]2C=C[C@@H]1C2
• InChI: InChI=1S/C20H33NO11/c22-6-12(25)18(32-20-17(29)16(28)15(27)13(7-23)31-20)14(26)11(24)5-21-19(30)10-4-8-1-2-9(10)3-8/h1-2,8-18,20,22-29H,3-7H2,(H,21,30)/t8-,9+,10+,11-,12+,13+,14+,15-,16-,17+,18+,20-/m0/s1
• InChIKey: YHMLISSRTBOTJV-VXRIHVLYSA-N
• XLogP: -4.43
• TPSA: 209.40 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	463.48
LogP ≤ 5	-4.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?

The IUPAC name of (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 101155930) is (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

What is the SMILES notation for (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?

The canonical SMILES for (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(NC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)[C@@H]1C[C@H]2C=C[C@@H]1C2.

What is the InChIKey of (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?

The InChIKey is YHMLISSRTBOTJV-VXRIHVLYSA-N. The full InChI is InChI=1S/C20H33NO11/c22-6-12(25)18(32-20-17(29)16(28)15(27)13(7-23)31-20)14(26)11(24)5-21-19(30)10-4-8-1-2-9(10)3-8/h1-2,8-18,20,22-29H,3-7H2,(H,21,30)/t8-,9+,10+,11-,12+,13+,14+,15-,16-,17+,18+,20-/m0/s1.

What are the key properties of (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?

(1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 463.48 g/mol, XLogP of -4.43, 10 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R,4S)-N-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 101155930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).