(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol

C9H18O5 — CID 123699386

IUPAC(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol
SMILESCC(C)COC1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18O5/c1-5(2)4-13-9-8(12)7(11)6(3-10)14-9/h5-12H,3-4H2,1-2H3/t6-,7-,8+,9?/m1/s1
InChIKeyVNNOIBYQERNXBB-JSXQXQAOSA-N
MW206.24 g/mol
LogP-0.90
Rot. Bonds4

About (2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol

(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol (PubChem CID 123699386) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol
PubChem CID123699386
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol
SMILESCC(C)COC1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18O5/c1-5(2)4-13-9-8(12)7(11)6(3-10)14-9/h5-12H,3-4H2,1-2H3/t6-,7-,8+,9?/m1/s1
InChIKeyVNNOIBYQERNXBB-JSXQXQAOSA-N
XLogP-0.90
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 159586267
(3R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 58429897
(2S,4S,5S)-6-(hydroxymethyl)-2,5-bis(2-methylpropoxy)oxane-3,4-diol
CID 59745844
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S)-2-hydroxypropoxy]oxane-3,4,5-triol
CID 175158371
(2S,3R,4S,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10083634
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 10848285
(2R,3S,4R,5R,6S)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11959966
(2S,3R,4S,5R,6R)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91850365
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol
CID 57149142
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol (CID 123699386) is (2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol is CC(C)COC1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol?
The InChIKey is VNNOIBYQERNXBB-JSXQXQAOSA-N. The full InChI is InChI=1S/C9H18O5/c1-5(2)4-13-9-8(12)7(11)6(3-10)14-9/h5-12H,3-4H2,1-2H3/t6-,7-,8+,9?/m1/s1.
What are the key properties of (2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol?
(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol has a molecular weight of 206.24 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol is sourced from PubChem (CID 123699386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).