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

C7H12O5 — CID 90805992

IUPAC(2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESC=C[C@]1(O)[C@@H](CO)O[C@H](O)[C@@H]1O
InChIInChI=1S/C7H12O5/c1-2-7(11)4(3-8)12-6(10)5(7)9/h2,4-6,8-11H,1,3H2/t4-,5+,6+,7+/m1/s1
InChIKeyNENKUUWYIVWFAG-BWBBJGPYSA-N
MW176.17 g/mol
LogP-2.03
Rot. Bonds2

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

(2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 90805992) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol
PubChem CID90805992
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name(2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESC=C[C@]1(O)[C@@H](CO)O[C@H](O)[C@@H]1O
InChIInChI=1S/C7H12O5/c1-2-7(11)4(3-8)12-6(10)5(7)9/h2,4-6,8-11H,1,3H2/t4-,5+,6+,7+/m1/s1
InChIKeyNENKUUWYIVWFAG-BWBBJGPYSA-N
XLogP-2.03
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-2.03
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 (2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol (CID 90805992) is (2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol is C=C[C@]1(O)[C@@H](CO)O[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol?
The InChIKey is NENKUUWYIVWFAG-BWBBJGPYSA-N. The full InChI is InChI=1S/C7H12O5/c1-2-7(11)4(3-8)12-6(10)5(7)9/h2,4-6,8-11H,1,3H2/t4-,5+,6+,7+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol?
(2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 176.17 g/mol, XLogP of -2.03, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 90805992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).