2-(2-hydroxypropyl)oxane-2,3,4-triol

C8H16O5 — CID 156700933

IUPAC2-(2-hydroxypropyl)oxane-2,3,4-triol
SMILESCC(O)CC1(O)OCCC(O)C1O
InChIInChI=1S/C8H16O5/c1-5(9)4-8(12)7(11)6(10)2-3-13-8/h5-7,9-12H,2-4H2,1H3
InChIKeyURIRHRKWMXMYOA-UHFFFAOYSA-N
MW192.21 g/mol
LogP-1.41
Rot. Bonds2

About 2-(2-hydroxypropyl)oxane-2,3,4-triol

2-(2-hydroxypropyl)oxane-2,3,4-triol (PubChem CID 156700933) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name2-(2-hydroxypropyl)oxane-2,3,4-triol
PubChem CID156700933
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name2-(2-hydroxypropyl)oxane-2,3,4-triol
SMILESCC(O)CC1(O)OCCC(O)C1O
InChIInChI=1S/C8H16O5/c1-5(9)4-8(12)7(11)6(10)2-3-13-8/h5-7,9-12H,2-4H2,1H3
InChIKeyURIRHRKWMXMYOA-UHFFFAOYSA-N
XLogP-1.41
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)oxane-2,3,4-triol?
The IUPAC name of 2-(2-hydroxypropyl)oxane-2,3,4-triol (CID 156700933) is 2-(2-hydroxypropyl)oxane-2,3,4-triol.
What is the SMILES notation for 2-(2-hydroxypropyl)oxane-2,3,4-triol?
The canonical SMILES for 2-(2-hydroxypropyl)oxane-2,3,4-triol is CC(O)CC1(O)OCCC(O)C1O.
What is the InChIKey of 2-(2-hydroxypropyl)oxane-2,3,4-triol?
The InChIKey is URIRHRKWMXMYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-5(9)4-8(12)7(11)6(10)2-3-13-8/h5-7,9-12H,2-4H2,1H3.
What are the key properties of 2-(2-hydroxypropyl)oxane-2,3,4-triol?
2-(2-hydroxypropyl)oxane-2,3,4-triol has a molecular weight of 192.21 g/mol, XLogP of -1.41, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)oxane-2,3,4-triol is sourced from PubChem (CID 156700933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).