(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol

C9H18O5 — CID 156818500

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol
SMILESOCCC[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H18O5/c10-3-1-2-6-5-14-7(4-11)9(13)8(6)12/h6-13H,1-5H2/t6-,7-,8-,9+/m1/s1
InChIKeyPEWPMZDTNWJBJK-BGZDPUMWSA-N
MW206.24 g/mol
LogP-1.51
Rot. Bonds4

About (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol (PubChem CID 156818500) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol
PubChem CID156818500
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol
SMILESOCCC[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H18O5/c10-3-1-2-6-5-14-7(4-11)9(13)8(6)12/h6-13H,1-5H2/t6-,7-,8-,9+/m1/s1
InChIKeyPEWPMZDTNWJBJK-BGZDPUMWSA-N
XLogP-1.51
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-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,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol (CID 156818500) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol is OCCC[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol?
The InChIKey is PEWPMZDTNWJBJK-BGZDPUMWSA-N. The full InChI is InChI=1S/C9H18O5/c10-3-1-2-6-5-14-7(4-11)9(13)8(6)12/h6-13H,1-5H2/t6-,7-,8-,9+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol has a molecular weight of 206.24 g/mol, XLogP of -1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol is sourced from PubChem (CID 156818500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).