(2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol

C8H16O3 — CID 145143880

IUPAC(2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol
SMILESC[C@H]1[C@@H](O)[C@H](C)O[C@@H]1[C@@H](C)O
InChIInChI=1S/C8H16O3/c1-4-7(10)6(3)11-8(4)5(2)9/h4-10H,1-3H3/t4-,5+,6-,7+,8-/m0/s1
InChIKeyDQIGJZCAAQZMNP-YMVPXFTJSA-N
MW160.21 g/mol
LogP0.15
Rot. Bonds1

About (2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol

(2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol (PubChem CID 145143880) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol
PubChem CID145143880
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol
SMILESC[C@H]1[C@@H](O)[C@H](C)O[C@@H]1[C@@H](C)O
InChIInChI=1S/C8H16O3/c1-4-7(10)6(3)11-8(4)5(2)9/h4-10H,1-3H3/t4-,5+,6-,7+,8-/m0/s1
InChIKeyDQIGJZCAAQZMNP-YMVPXFTJSA-N
XLogP0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol
CID 145143924
(2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 145143628
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(2R,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 22885266
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 118332800
(2R,3R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 161397245
(2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol
CID 57102667
actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 58666535
5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
CID 70847183
4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol
CID 58590815
(2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol
CID 59696974

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol?
The IUPAC name of (2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol (CID 145143880) is (2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol.
What is the SMILES notation for (2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol?
The canonical SMILES for (2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol is C[C@H]1[C@@H](O)[C@H](C)O[C@@H]1[C@@H](C)O.
What is the InChIKey of (2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol?
The InChIKey is DQIGJZCAAQZMNP-YMVPXFTJSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-7(10)6(3)11-8(4)5(2)9/h4-10H,1-3H3/t4-,5+,6-,7+,8-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol?
(2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol is sourced from PubChem (CID 145143880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).