(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol

C11H16O5 — CID 5283267

IUPAC(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol
SMILESC=C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]1O[C@H]1[C@H](O)CO
InChIInChI=1S/C11H16O5/c1-2-6(13)10-8(15-10)3-4-9-11(16-9)7(14)5-12/h2-4,6-14H,1,5H2/b4-3+/t6-,7-,8+,9+,10+,11+/m1/s1
InChIKeyWWAQOPQUSWZTHG-SHEFQFEDSA-N
MW228.24 g/mol
LogP-1.02
Rot. Bonds6

About (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol

(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol (PubChem CID 5283267) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol
PubChem CID5283267
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol
SMILESC=C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]1O[C@H]1[C@H](O)CO
InChIInChI=1S/C11H16O5/c1-2-6(13)10-8(15-10)3-4-9-11(16-9)7(14)5-12/h2-4,6-14H,1,5H2/b4-3+/t6-,7-,8+,9+,10+,11+/m1/s1
InChIKeyWWAQOPQUSWZTHG-SHEFQFEDSA-N
XLogP-1.02
TPSA85.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol (CID 5283267) is (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol is C=C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]1O[C@H]1[C@H](O)CO.
What is the InChIKey of (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol?
The InChIKey is WWAQOPQUSWZTHG-SHEFQFEDSA-N. The full InChI is InChI=1S/C11H16O5/c1-2-6(13)10-8(15-10)3-4-9-11(16-9)7(14)5-12/h2-4,6-14H,1,5H2/b4-3+/t6-,7-,8+,9+,10+,11+/m1/s1.
What are the key properties of (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol has a molecular weight of 228.24 g/mol, XLogP of -1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol is sourced from PubChem (CID 5283267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).