(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol

C11H20O6 — CID 14239302

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol
SMILESC=C(C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h7-15H,1,3-5H2,2H3/t7-,8-,9+,10-,11-/m1/s1
InChIKeyXJEVPMIXWZHRML-KAMPLNKDSA-N
MW248.27 g/mol
LogP-1.23
Rot. Bonds5

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol (PubChem CID 14239302) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol
PubChem CID14239302
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol
SMILESC=C(C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h7-15H,1,3-5H2,2H3/t7-,8-,9+,10-,11-/m1/s1
InChIKeyXJEVPMIXWZHRML-KAMPLNKDSA-N
XLogP-1.23
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 ≤ 5-1.23
H-Bond Donors ≤ 54
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,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol (CID 14239302) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol is C=C(C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol?
The InChIKey is XJEVPMIXWZHRML-KAMPLNKDSA-N. The full InChI is InChI=1S/C11H20O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h7-15H,1,3-5H2,2H3/t7-,8-,9+,10-,11-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol has a molecular weight of 248.27 g/mol, XLogP of -1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbut-3-enoxy)oxane-3,4,5-triol is sourced from PubChem (CID 14239302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).