(2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C15H22O8 — CID 10711472

About (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 10711472) has the molecular formula C15H22O8 and a molecular weight of 330.33 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 10711472
• Molecular Formula: C15H22O8
• Molecular Weight: 330.33 g/mol
• Exact Mass: 330.13
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OC[C@@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H]2OC=C[C@@H]21
• InChI: InChI=1S/C15H22O8/c16-4-9-7(3-10-8(9)1-2-21-10)6-22-15-14(20)13(19)12(18)11(5-17)23-15/h1-3,8-20H,4-6H2/t8-,9-,10+,11-,12-,13+,14-,15-/m1/s1
• InChIKey: RURCIZYIZNXZMJ-REECGULKSA-N
• XLogP: -2.12
• TPSA: 128.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.33
LogP ≤ 5	-2.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 10711472) is (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H]2OC=C[C@@H]21.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is RURCIZYIZNXZMJ-REECGULKSA-N. The full InChI is InChI=1S/C15H22O8/c16-4-9-7(3-10-8(9)1-2-21-10)6-22-15-14(20)13(19)12(18)11(5-17)23-15/h1-3,8-20H,4-6H2/t8-,9-,10+,11-,12-,13+,14-,15-/m1/s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 330.33 g/mol, XLogP of -2.12, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[[(3aS,4S,6aR)-4-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 10711472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).