(3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol

C8H14O5 — CID 91307717

IUPAC(3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC=CC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-2-4-6(10)8(12)7(11)5(3-9)13-4/h2,4-12H,1,3H2/t4?,5-,6+,7+,8-/m1/s1
InChIKeyXKNIRWHIPABRKO-APUAGWDISA-N
MW190.19 g/mol
LogP-1.99
Rot. Bonds2

About (3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol

(3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 91307717) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID91307717
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC=CC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-2-4-6(10)8(12)7(11)5(3-9)13-4/h2,4-12H,1,3H2/t4?,5-,6+,7+,8-/m1/s1
InChIKeyXKNIRWHIPABRKO-APUAGWDISA-N
XLogP-1.99
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 (3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol (CID 91307717) is (3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol is C=CC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is XKNIRWHIPABRKO-APUAGWDISA-N. The full InChI is InChI=1S/C8H14O5/c1-2-4-6(10)8(12)7(11)5(3-9)13-4/h2,4-12H,1,3H2/t4?,5-,6+,7+,8-/m1/s1.
What are the key properties of (3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol?
(3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 190.19 g/mol, XLogP of -1.99, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-2-ethenyl-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 91307717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).