2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol

C10H12O7 — CID 70607129

IUPAC2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol
SMILESOC1=C(O)C(O)=C(O)C(O[C@@H]2C=C[C@H](O)C2)O1
InChIInChI=1S/C10H12O7/c11-4-1-2-5(3-4)16-10-8(14)6(12)7(13)9(15)17-10/h1-2,4-5,10-15H,3H2/t4-,5+,10?/m0/s1
InChIKeyDRMUQPOKMYXMBV-YXQJYQJSSA-N
MW244.20 g/mol
LogP0.66
Rot. Bonds2

About 2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol

2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol (PubChem CID 70607129) has the molecular formula C10H12O7 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol.

Molecular Properties

Compound Name2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol
PubChem CID70607129
Molecular FormulaC10H12O7
Molecular Weight244.20 g/mol
Exact Mass244.06
IUPAC Name2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol
SMILESOC1=C(O)C(O)=C(O)C(O[C@@H]2C=C[C@H](O)C2)O1
InChIInChI=1S/C10H12O7/c11-4-1-2-5(3-4)16-10-8(14)6(12)7(13)9(15)17-10/h1-2,4-5,10-15H,3H2/t4-,5+,10?/m0/s1
InChIKeyDRMUQPOKMYXMBV-YXQJYQJSSA-N
XLogP0.66
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 50.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol?
The IUPAC name of 2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol (CID 70607129) is 2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol.
What is the SMILES notation for 2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol?
The canonical SMILES for 2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol is OC1=C(O)C(O)=C(O)C(O[C@@H]2C=C[C@H](O)C2)O1.
What is the InChIKey of 2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol?
The InChIKey is DRMUQPOKMYXMBV-YXQJYQJSSA-N. The full InChI is InChI=1S/C10H12O7/c11-4-1-2-5(3-4)16-10-8(14)6(12)7(13)9(15)17-10/h1-2,4-5,10-15H,3H2/t4-,5+,10?/m0/s1.
What are the key properties of 2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol?
2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol has a molecular weight of 244.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-4-hydroxycyclopent-2-en-1-yl]oxy-2H-pyran-3,4,5,6-tetrol is sourced from PubChem (CID 70607129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).