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

C15H24O8 — CID 10496778

IUPAC(2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C15H24O8/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/h3,8-20H,1-2,4-6H2/t8-,9-,10+,11-,12-,13+,14-,15-/m1/s1
InChIKeyPGPSZRNSJNVGAL-REECGULKSA-N
MW332.35 g/mol
LogP-2.24
Rot. Bonds5

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

(2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 10496778) has the molecular formula C15H24O8 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID10496778
Molecular FormulaC15H24O8
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C15H24O8/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/h3,8-20H,1-2,4-6H2/t8-,9-,10+,11-,12-,13+,14-,15-/m1/s1
InChIKeyPGPSZRNSJNVGAL-REECGULKSA-N
XLogP-2.24
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 5-2.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 10496778) is (2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-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-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-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]2OCC[C@@H]21.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is PGPSZRNSJNVGAL-REECGULKSA-N. The full InChI is InChI=1S/C15H24O8/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/h3,8-20H,1-2,4-6H2/t8-,9-,10+,11-,12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 332.35 g/mol, XLogP of -2.24, 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-[[(3aR,4S,6aR)-4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 10496778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).