(2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol

C9H16O4 — CID 139067140

IUPAC(2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol
SMILESC=CC[C@@H]1C[C@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H16O4/c1-2-3-6-4-7(11)9(12)8(5-10)13-6/h2,6-12H,1,3-5H2/t6-,7+,8-,9+/m1/s1
InChIKeyRLRWHCQPHLHEQD-XAVMHZPKSA-N
MW188.22 g/mol
LogP-0.57
Rot. Bonds3

About (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol

(2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol (PubChem CID 139067140) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol
PubChem CID139067140
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol
SMILESC=CC[C@@H]1C[C@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H16O4/c1-2-3-6-4-7(11)9(12)8(5-10)13-6/h2,6-12H,1,3-5H2/t6-,7+,8-,9+/m1/s1
InChIKeyRLRWHCQPHLHEQD-XAVMHZPKSA-N
XLogP-0.57
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol?
The IUPAC name of (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol (CID 139067140) is (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol is C=CC[C@@H]1C[C@H](O)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol?
The InChIKey is RLRWHCQPHLHEQD-XAVMHZPKSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-3-6-4-7(11)9(12)8(5-10)13-6/h2,6-12H,1,3-5H2/t6-,7+,8-,9+/m1/s1.
What are the key properties of (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol?
(2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol has a molecular weight of 188.22 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,6R)-2-(hydroxymethyl)-6-prop-2-enyloxane-3,4-diol is sourced from PubChem (CID 139067140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).