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

C15H24O8 — CID 85160228

IUPAC2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol
SMILESOCC1OC(OCC2=CC3OCCC3C2CO)C(O)C(O)C1O
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
InChIKeyPGPSZRNSJNVGAL-UHFFFAOYSA-N
MW332.35 g/mol
LogP-2.24
Rot. Bonds5

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

2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol (PubChem CID 85160228) has the molecular formula C15H24O8 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol
PubChem CID85160228
Molecular FormulaC15H24O8
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol
SMILESOCC1OC(OCC2=CC3OCCC3C2CO)C(O)C(O)C1O
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
InChIKeyPGPSZRNSJNVGAL-UHFFFAOYSA-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 2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol (CID 85160228) is 2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol is OCC1OC(OCC2=CC3OCCC3C2CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is PGPSZRNSJNVGAL-UHFFFAOYSA-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.
What are the key properties of 2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]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 2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 85160228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).