(1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol

C7H14O5 — CID 122215869

IUPAC(1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol
SMILESOC[C@H](O)[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H14O5/c8-2-5(11)6-1-4(10)7(3-9)12-6/h4-11H,1-3H2/t4-,5-,6+,7+/m0/s1
InChIKeyUCDRSCFPDZVPFS-VWDOSNQTSA-N
MW178.18 g/mol
LogP-2.15
Rot. Bonds3

About (1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol

(1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol (PubChem CID 122215869) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol
PubChem CID122215869
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol
SMILESOC[C@H](O)[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H14O5/c8-2-5(11)6-1-4(10)7(3-9)12-6/h4-11H,1-3H2/t4-,5-,6+,7+/m0/s1
InChIKeyUCDRSCFPDZVPFS-VWDOSNQTSA-N
XLogP-2.15
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3-diol
CID 101290230
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol
CID 10777626
(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
CID 11452775
(2S,3S,5S)-5-[(1S)-1-hydroxyheptyl]-2-pentyloxolan-3-ol
CID 101465575
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 67099694
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
CID 59996261
CID 59996261

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol (CID 122215869) is (1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol is OC[C@H](O)[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol?
The InChIKey is UCDRSCFPDZVPFS-VWDOSNQTSA-N. The full InChI is InChI=1S/C7H14O5/c8-2-5(11)6-1-4(10)7(3-9)12-6/h4-11H,1-3H2/t4-,5-,6+,7+/m0/s1.
What are the key properties of (1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol?
(1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol has a molecular weight of 178.18 g/mol, XLogP of -2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 122215869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).