cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium

C17H32NO10+ — CID 176975896

About cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium

cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium (PubChem CID 176975896) has the molecular formula C17H32NO10+ and a molecular weight of 410.44 g/mol. Its IUPAC name is cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium.

Molecular Properties

• Compound Name: cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium
• PubChem CID: 176975896
• Molecular Formula: C17H32NO10+
• Molecular Weight: 410.44 g/mol
• Exact Mass: 410.20
• IUPAC Name: cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium
• SMILES: OCC1O[C@@H](O[C@H](C(O)CO)C(O)C(O)/C=[NH+]/C2CCCC2)C(O)C(O)[C@H]1O
• InChI: InChI=1S/C17H31NO10/c19-6-10(22)16(12(23)9(21)5-18-8-3-1-2-4-8)28-17-15(26)14(25)13(24)11(7-20)27-17/h5,8-17,19-26H,1-4,6-7H2/p+1/b18-5+/t9?,10?,11?,12?,13-,14?,15?,16+,17-/m0/s1
• InChIKey: ZYSADPVIEVMTEE-ILRNPQAVSA-O
• XLogP: -5.66
• TPSA: 194.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.44
LogP ≤ 5	-5.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium?

The IUPAC name of cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium (CID 176975896) is cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium.

What is the SMILES notation for cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium?

The canonical SMILES for cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium is OCC1O[C@@H](O[C@H](C(O)CO)C(O)C(O)/C=[NH+]/C2CCCC2)C(O)C(O)[C@H]1O.

What is the InChIKey of cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium?

The InChIKey is ZYSADPVIEVMTEE-ILRNPQAVSA-O. The full InChI is InChI=1S/C17H31NO10/c19-6-10(22)16(12(23)9(21)5-18-8-3-1-2-4-8)28-17-15(26)14(25)13(24)11(7-20)27-17/h5,8-17,19-26H,1-4,6-7H2/p+1/b18-5+/t9?,10?,11?,12?,13-,14?,15?,16+,17-/m0/s1.

What are the key properties of cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium?

cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium has a molecular weight of 410.44 g/mol, XLogP of -5.66, 9 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]azanium is sourced from PubChem (CID 176975896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).