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

C9H18O6 — CID 102044238

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol
SMILESCCCO[C@]1(CO)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18O6/c1-2-3-14-9(5-10)8(13)7(12)6(11)4-15-9/h6-8,10-13H,2-5H2,1H3/t6-,7-,8+,9-/m1/s1
InChIKeyPKSWRDXGFYAAIQ-LURQLKTLSA-N
MW222.24 g/mol
LogP-1.79
Rot. Bonds4

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

(2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol (PubChem CID 102044238) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol
PubChem CID102044238
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol
SMILESCCCO[C@]1(CO)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18O6/c1-2-3-14-9(5-10)8(13)7(12)6(11)4-15-9/h6-8,10-13H,2-5H2,1H3/t6-,7-,8+,9-/m1/s1
InChIKeyPKSWRDXGFYAAIQ-LURQLKTLSA-N
XLogP-1.79
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol (CID 102044238) is (2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol is CCCO[C@]1(CO)OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol?
The InChIKey is PKSWRDXGFYAAIQ-LURQLKTLSA-N. The full InChI is InChI=1S/C9H18O6/c1-2-3-14-9(5-10)8(13)7(12)6(11)4-15-9/h6-8,10-13H,2-5H2,1H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol has a molecular weight of 222.24 g/mol, XLogP of -1.79, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol is sourced from PubChem (CID 102044238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).