(2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C10H18O6 — CID 140652154

IUPAC(2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC/C=C\CO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C10H18O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h2-3,6-14H,4-5H2,1H3/b3-2-/t6?,7-,8+,9?,10-/m1/s1
InChIKeyAQEAPDLGCPSKGU-XGOCUDIGSA-N
MW234.25 g/mol
LogP-1.62
Rot. Bonds4

About (2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 140652154) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID140652154
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name(2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC/C=C\CO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C10H18O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h2-3,6-14H,4-5H2,1H3/b3-2-/t6?,7-,8+,9?,10-/m1/s1
InChIKeyAQEAPDLGCPSKGU-XGOCUDIGSA-N
XLogP-1.62
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol
CID 154497810
2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetaldehyde
CID 102054484
2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanethial
CID 54766672
2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanethial
CID 54766518
(2R,3R,4R)-2-(hydroxymethyl)-5-prop-2-enoxyoxolane-3,4-diol
CID 66709788
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-non-2-enoxy]oxane-3,4,5-triol
CID 101197707
(3R,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167273002
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67410978
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 140652154) is (2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C/C=C\CO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O.
What is the InChIKey of (2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is AQEAPDLGCPSKGU-XGOCUDIGSA-N. The full InChI is InChI=1S/C10H18O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h2-3,6-14H,4-5H2,1H3/b3-2-/t6?,7-,8+,9?,10-/m1/s1.
What are the key properties of (2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 234.25 g/mol, XLogP of -1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 140652154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).