(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol

C9H16O6 — CID 140714337

IUPAC(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol
SMILESC=CC[C@@]1(O)O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C9H16O6/c1-2-3-9(14)8(13)6(12)7(15-9)5(11)4-10/h2,5-8,10-14H,1,3-4H2/t5-,6+,7+,8-,9-/m1/s1
InChIKeyYHOJFEOTUXSDAB-QMGXLNLGSA-N
MW220.22 g/mol
LogP-2.28
Rot. Bonds4

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

(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol (PubChem CID 140714337) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol
PubChem CID140714337
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol
SMILESC=CC[C@@]1(O)O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C9H16O6/c1-2-3-9(14)8(13)6(12)7(15-9)5(11)4-10/h2,5-8,10-14H,1,3-4H2/t5-,6+,7+,8-,9-/m1/s1
InChIKeyYHOJFEOTUXSDAB-QMGXLNLGSA-N
XLogP-2.28
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol (CID 140714337) is (2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol is C=CC[C@@]1(O)O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol?
The InChIKey is YHOJFEOTUXSDAB-QMGXLNLGSA-N. The full InChI is InChI=1S/C9H16O6/c1-2-3-9(14)8(13)6(12)7(15-9)5(11)4-10/h2,5-8,10-14H,1,3-4H2/t5-,6+,7+,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol?
(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol has a molecular weight of 220.22 g/mol, XLogP of -2.28, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enyloxolane-2,3,4-triol is sourced from PubChem (CID 140714337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).