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

C9H16O6 — CID 90982963

IUPAC(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol
SMILESC=CCO[C@H]1[C@@H](O)[C@@H](O)O[C@@H]1[C@H](O)CO
InChIInChI=1S/C9H16O6/c1-2-3-14-8-6(12)9(13)15-7(8)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9+/m1/s1
InChIKeyLONPUHGGLPYIAW-HXLXBVJFSA-N
MW220.22 g/mol
LogP-2.01
Rot. Bonds5

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

(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol (PubChem CID 90982963) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol
PubChem CID90982963
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol
SMILESC=CCO[C@H]1[C@@H](O)[C@@H](O)O[C@@H]1[C@H](O)CO
InChIInChI=1S/C9H16O6/c1-2-3-14-8-6(12)9(13)15-7(8)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9+/m1/s1
InChIKeyLONPUHGGLPYIAW-HXLXBVJFSA-N
XLogP-2.01
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-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,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol?
The IUPAC name of (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol (CID 90982963) is (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol.
What is the SMILES notation for (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol?
The canonical SMILES for (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol is C=CCO[C@H]1[C@@H](O)[C@@H](O)O[C@@H]1[C@H](O)CO.
What is the InChIKey of (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol?
The InChIKey is LONPUHGGLPYIAW-HXLXBVJFSA-N. The full InChI is InChI=1S/C9H16O6/c1-2-3-14-8-6(12)9(13)15-7(8)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol?
(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol has a molecular weight of 220.22 g/mol, XLogP of -2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-prop-2-enoxyoxolane-2,3-diol is sourced from PubChem (CID 90982963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).