(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol

C11H16O4 — CID 177442327

IUPAC(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]1O[C@H]1[C@H](C)O
InChIInChI=1S/C11H16O4/c1-3-7(13)11-9(15-11)5-4-8-10(14-8)6(2)12/h3-13H,1H2,2H3/b5-4+/t6-,7+,8-,9-,10-,11-/m0/s1
InChIKeyDLVJMFOLJOOWFS-WKRISSGHSA-N
MW212.24 g/mol
LogP0.01
Rot. Bonds5

About (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol

(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol (PubChem CID 177442327) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol
PubChem CID177442327
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]1O[C@H]1[C@H](C)O
InChIInChI=1S/C11H16O4/c1-3-7(13)11-9(15-11)5-4-8-10(14-8)6(2)12/h3-13H,1H2,2H3/b5-4+/t6-,7+,8-,9-,10-,11-/m0/s1
InChIKeyDLVJMFOLJOOWFS-WKRISSGHSA-N
XLogP0.01
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol (CID 177442327) is (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol is C=C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]1O[C@H]1[C@H](C)O.
What is the InChIKey of (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol?
The InChIKey is DLVJMFOLJOOWFS-WKRISSGHSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-7(13)11-9(15-11)5-4-8-10(14-8)6(2)12/h3-13H,1H2,2H3/b5-4+/t6-,7+,8-,9-,10-,11-/m0/s1.
What are the key properties of (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol?
(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol has a molecular weight of 212.24 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 177442327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).