(2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol

C7H12O4 — CID 134931559

IUPAC(2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESC=C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H12O4/c1-2-4-6(9)7(10)5(3-8)11-4/h2,4-10H,1,3H2/t4-,5+,6-,7+/m0/s1
InChIKeyVQQDOSMYQLVSLU-BNHYGAARSA-N
MW160.17 g/mol
LogP-1.35
Rot. Bonds2

About (2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol

(2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 134931559) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID134931559
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESC=C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H12O4/c1-2-4-6(9)7(10)5(3-8)11-4/h2,4-10H,1,3H2/t4-,5+,6-,7+/m0/s1
InChIKeyVQQDOSMYQLVSLU-BNHYGAARSA-N
XLogP-1.35
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol (CID 134931559) is (2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol is C=C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is VQQDOSMYQLVSLU-BNHYGAARSA-N. The full InChI is InChI=1S/C7H12O4/c1-2-4-6(9)7(10)5(3-8)11-4/h2,4-10H,1,3H2/t4-,5+,6-,7+/m0/s1.
What are the key properties of (2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 160.17 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 134931559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).