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

C11H20O7 — CID 11507236

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol
SMILESC/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO
InChIInChI=1S/C11H20O7/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-16H,3-5H2,1H3/b6-2+/t7-,8-,9+,10-,11-/m1/s1
InChIKeyMTNPSFBFGZMJPZ-ZCIPGPJXSA-N
MW264.27 g/mol
LogP-2.26
Rot. Bonds5

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol (PubChem CID 11507236) has the molecular formula C11H20O7 and a molecular weight of 264.27 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol
PubChem CID11507236
Molecular FormulaC11H20O7
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol
SMILESC/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO
InChIInChI=1S/C11H20O7/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-16H,3-5H2,1H3/b6-2+/t7-,8-,9+,10-,11-/m1/s1
InChIKeyMTNPSFBFGZMJPZ-ZCIPGPJXSA-N
XLogP-2.26
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-2.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol (CID 11507236) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol is C/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol?
The InChIKey is MTNPSFBFGZMJPZ-ZCIPGPJXSA-N. The full InChI is InChI=1S/C11H20O7/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-16H,3-5H2,1H3/b6-2+/t7-,8-,9+,10-,11-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol has a molecular weight of 264.27 g/mol, XLogP of -2.26, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-4-hydroxy-3-methylbut-2-enoxy]oxane-3,4,5-triol is sourced from PubChem (CID 11507236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).