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

C10H16O6 — CID 66697868

IUPAC[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O6/c1-5(2)10(14)16-7(3-11)9-8(13)6(12)4-15-9/h6-9,11-13H,1,3-4H2,2H3/t6-,7+,8+,9+/m0/s1
InChIKeyPQUPDCIQKQGQLX-JQCXWYLXSA-N
MW232.23 g/mol
LogP-1.41
Rot. Bonds4

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

[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate (PubChem CID 66697868) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate
PubChem CID66697868
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O6/c1-5(2)10(14)16-7(3-11)9-8(13)6(12)4-15-9/h6-9,11-13H,1,3-4H2,2H3/t6-,7+,8+,9+/m0/s1
InChIKeyPQUPDCIQKQGQLX-JQCXWYLXSA-N
XLogP-1.41
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate?
The IUPAC name of [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate (CID 66697868) is [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate?
The canonical SMILES for [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate is C=C(C)C(=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] 2-methylprop-2-enoate?
The InChIKey is PQUPDCIQKQGQLX-JQCXWYLXSA-N. The full InChI is InChI=1S/C10H16O6/c1-5(2)10(14)16-7(3-11)9-8(13)6(12)4-15-9/h6-9,11-13H,1,3-4H2,2H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate?
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-methylprop-2-enoate has a molecular weight of 232.23 g/mol, XLogP of -1.41, 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] 2-methylprop-2-enoate is sourced from PubChem (CID 66697868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).