[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate

C9H14O6 — CID 67301788

IUPAC[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate
SMILESC=CC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C9H14O6/c1-2-7(12)15-6(3-10)9-8(13)5(11)4-14-9/h2,5-6,8-11,13H,1,3-4H2/t5-,6+,8+,9+/m0/s1
InChIKeyHXLURKUKSNDQDA-HIORRCEOSA-N
MW218.20 g/mol
LogP-1.80
Rot. Bonds4

About [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate

[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate (PubChem CID 67301788) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate.

Molecular Properties

Compound Name[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate
PubChem CID67301788
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate
SMILESC=CC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C9H14O6/c1-2-7(12)15-6(3-10)9-8(13)5(11)4-14-9/h2,5-6,8-11,13H,1,3-4H2/t5-,6+,8+,9+/m0/s1
InChIKeyHXLURKUKSNDQDA-HIORRCEOSA-N
XLogP-1.80
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

Sorbitol Pentaacrylate
CID 44607806
2-Propenoic acid, 1,1'-(2-hydroxy-1,6-hexanediyl) ester
CID 155006
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl prop-2-enoate
CID 11728982
Sorbitol diacrylate
CID 44607803
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-prop-2-enoyloxyhexyl] prop-2-enoate
CID 53783416
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate
CID 66697868
1-O-acryloylxylitol
CID 87393556
[(2R,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] prop-2-enoate
CID 129682774
Sucrose diacrylate
CID 129689697
Glucose acrylate
CID 129831059
Galactose acrylate
CID 129849674
[(2R,3R,4R,5R)-1,2,3,4,5,6-hexahydroxy-1-prop-2-enoyloxyhexyl] prop-2-enoate
CID 129858781

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate?
The IUPAC name of [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate (CID 67301788) is [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate.
What is the SMILES notation for [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate?
The canonical SMILES for [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate is C=CC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O.
What is the InChIKey of [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate?
The InChIKey is HXLURKUKSNDQDA-HIORRCEOSA-N. The full InChI is InChI=1S/C9H14O6/c1-2-7(12)15-6(3-10)9-8(13)5(11)4-14-9/h2,5-6,8-11,13H,1,3-4H2/t5-,6+,8+,9+/m0/s1.
What are the key properties of [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate?
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate has a molecular weight of 218.20 g/mol, XLogP of -1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] prop-2-enoate is sourced from PubChem (CID 67301788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).