(3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol

C11H20O6 — CID 155288544

IUPAC(3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol
SMILESCCC/C=C/O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO
InChIInChI=1S/C11H20O6/c1-2-3-4-5-16-10-7(6-12)17-11(15)9(14)8(10)13/h4-5,7-15H,2-3,6H2,1H3/b5-4+/t7-,8-,9-,10-,11?/m1/s1
InChIKeyBFNLLXDEICXBQH-IOUUHHPHSA-N
MW248.27 g/mol
LogP-0.88
Rot. Bonds5

About (3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol

(3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol (PubChem CID 155288544) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is (3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol
PubChem CID155288544
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol
SMILESCCC/C=C/O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO
InChIInChI=1S/C11H20O6/c1-2-3-4-5-16-10-7(6-12)17-11(15)9(14)8(10)13/h4-5,7-15H,2-3,6H2,1H3/b5-4+/t7-,8-,9-,10-,11?/m1/s1
InChIKeyBFNLLXDEICXBQH-IOUUHHPHSA-N
XLogP-0.88
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol
CID 156616402
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871
2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;propan-1-ol
CID 174826743
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
ethanol;(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 68787195
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336
(2R,3R,4S,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
CID 174113767
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol?
The IUPAC name of (3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol (CID 155288544) is (3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol.
What is the SMILES notation for (3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol?
The canonical SMILES for (3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol is CCC/C=C/O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO.
What is the InChIKey of (3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol?
The InChIKey is BFNLLXDEICXBQH-IOUUHHPHSA-N. The full InChI is InChI=1S/C11H20O6/c1-2-3-4-5-16-10-7(6-12)17-11(15)9(14)8(10)13/h4-5,7-15H,2-3,6H2,1H3/b5-4+/t7-,8-,9-,10-,11?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol?
(3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol has a molecular weight of 248.27 g/mol, XLogP of -0.88, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(E)-pent-1-enoxy]oxane-2,3,4-triol is sourced from PubChem (CID 155288544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).