(3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol

C7H14O4 — CID 154474298

IUPAC(3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol
SMILESCOC[C@@H](O)[C@@H]1C[C@H](O)CO1
InChIInChI=1S/C7H14O4/c1-10-4-6(9)7-2-5(8)3-11-7/h5-9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyAPTWCYHTZHMOAN-XVMARJQXSA-N
MW162.18 g/mol
LogP-0.86
Rot. Bonds3

About (3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol

(3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol (PubChem CID 154474298) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol
PubChem CID154474298
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol
SMILESCOC[C@@H](O)[C@@H]1C[C@H](O)CO1
InChIInChI=1S/C7H14O4/c1-10-4-6(9)7-2-5(8)3-11-7/h5-9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyAPTWCYHTZHMOAN-XVMARJQXSA-N
XLogP-0.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-hydroxypropan-2-yl)oxolan-3-ol
CID 20778564
(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane
CID 123779064
methoxy(oxiran-2-yl)methanol
CID 20559064
6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol
CID 54082063
2-(1-hydroxybutyl)oxan-4-ol
CID 123732929
(1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
CID 134524619
1-(azetidin-2-yl)-2-methoxyethanol
CID 115007059
4-methyl-1-(oxiran-2-yl)pent-3-en-1-ol
CID 23045524
1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol
CID 18740051
(3R,5R)-5-tert-butyloxolan-3-ol
CID 129415600
3-methyl-1-(oxiran-2-yl)butan-1-ol
CID 73110178
(3S,5R)-5-tert-butyloxolan-3-ol
CID 129415604

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol?
The IUPAC name of (3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol (CID 154474298) is (3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol.
What is the SMILES notation for (3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol?
The canonical SMILES for (3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol is COC[C@@H](O)[C@@H]1C[C@H](O)CO1.
What is the InChIKey of (3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol?
The InChIKey is APTWCYHTZHMOAN-XVMARJQXSA-N. The full InChI is InChI=1S/C7H14O4/c1-10-4-6(9)7-2-5(8)3-11-7/h5-9H,2-4H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of (3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol?
(3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol has a molecular weight of 162.18 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol is sourced from PubChem (CID 154474298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).