(2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol

C10H20O4 — CID 71098630

IUPAC(2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol
SMILESCCC(C)(C)OC[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C10H20O4/c1-4-10(2,3)14-6-8-9(12)7(11)5-13-8/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyPJNWMRBYQUTNFY-YIZRAAEISA-N
MW204.27 g/mol
LogP0.31
Rot. Bonds4

About (2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol

(2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol (PubChem CID 71098630) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol
PubChem CID71098630
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol
SMILESCCC(C)(C)OC[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C10H20O4/c1-4-10(2,3)14-6-8-9(12)7(11)5-13-8/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyPJNWMRBYQUTNFY-YIZRAAEISA-N
XLogP0.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 20732647
(2S,3S,4R)-2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 157122722
(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol
CID 54109760
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 21336535
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 130353302
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
CID 134180059
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
[(2S,3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219609
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219584

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol (CID 71098630) is (2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol is CCC(C)(C)OC[C@H]1OC[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol?
The InChIKey is PJNWMRBYQUTNFY-YIZRAAEISA-N. The full InChI is InChI=1S/C10H20O4/c1-4-10(2,3)14-6-8-9(12)7(11)5-13-8/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-/m0/s1.
What are the key properties of (2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol?
(2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol has a molecular weight of 204.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 71098630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).