(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol

C9H16O5 — CID 44586823

IUPAC(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol
SMILESC/C=C/[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H16O5/c1-2-3-5-7(11)9(13)8(12)6(4-10)14-5/h2-3,5-13H,4H2,1H3/b3-2+/t5-,6+,7-,8-,9+/m0/s1
InChIKeyITHPMJDGCIJSAU-WGQJXPIPSA-N
MW204.22 g/mol
LogP-1.60
Rot. Bonds2

About (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol

(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol (PubChem CID 44586823) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol
PubChem CID44586823
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol
SMILESC/C=C/[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H16O5/c1-2-3-5-7(11)9(13)8(12)6(4-10)14-5/h2-3,5-13H,4H2,1H3/b3-2+/t5-,6+,7-,8-,9+/m0/s1
InChIKeyITHPMJDGCIJSAU-WGQJXPIPSA-N
XLogP-1.60
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-1.60
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 (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol (CID 44586823) is (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol is C/C=C/[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol?
The InChIKey is ITHPMJDGCIJSAU-WGQJXPIPSA-N. The full InChI is InChI=1S/C9H16O5/c1-2-3-5-7(11)9(13)8(12)6(4-10)14-5/h2-3,5-13H,4H2,1H3/b3-2+/t5-,6+,7-,8-,9+/m0/s1.
What are the key properties of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol?
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol has a molecular weight of 204.22 g/mol, XLogP of -1.60, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(E)-prop-1-enyl]oxane-3,4,5-triol is sourced from PubChem (CID 44586823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).