(2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol

C11H20O6 — CID 134986777

IUPAC(2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol
SMILESC=CCCCOC1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-2-3-4-5-16-11-9(15)8(14)10(17-11)7(13)6-12/h2,7-15H,1,3-6H2/t7-,8-,9-,10+,11?/m1/s1
InChIKeyQFORMCYVAVWTQK-UZJMVKBUSA-N
MW248.27 g/mol
LogP-1.23
Rot. Bonds7

About (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol

(2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol (PubChem CID 134986777) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol
PubChem CID134986777
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol
SMILESC=CCCCOC1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-2-3-4-5-16-11-9(15)8(14)10(17-11)7(13)6-12/h2,7-15H,1,3-6H2/t7-,8-,9-,10+,11?/m1/s1
InChIKeyQFORMCYVAVWTQK-UZJMVKBUSA-N
XLogP-1.23
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol?
The IUPAC name of (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol (CID 134986777) is (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol is C=CCCCOC1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol?
The InChIKey is QFORMCYVAVWTQK-UZJMVKBUSA-N. The full InChI is InChI=1S/C11H20O6/c1-2-3-4-5-16-11-9(15)8(14)10(17-11)7(13)6-12/h2,7-15H,1,3-6H2/t7-,8-,9-,10+,11?/m1/s1.
What are the key properties of (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol?
(2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol has a molecular weight of 248.27 g/mol, XLogP of -1.23, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-pent-4-enoxyoxolane-3,4-diol is sourced from PubChem (CID 134986777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).