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

C8H16O7S — CID 70209053

IUPAC(2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESOCCSO[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O7S/c9-1-2-16-15-8(4-11)7(13)6(12)5(3-10)14-8/h5-7,9-13H,1-4H2/t5-,6-,7+,8-/m1/s1
InChIKeyXPONAABZRHYUOE-OOJXKGFFSA-N
MW256.28 g/mol
LogP-2.56
Rot. Bonds6

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

(2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol (PubChem CID 70209053) has the molecular formula C8H16O7S and a molecular weight of 256.28 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
PubChem CID70209053
Molecular FormulaC8H16O7S
Molecular Weight256.28 g/mol
Exact Mass256.06
IUPAC Name(2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESOCCSO[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O7S/c9-1-2-16-15-8(4-11)7(13)6(12)5(3-10)14-8/h5-7,9-13H,1-4H2/t5-,6-,7+,8-/m1/s1
InChIKeyXPONAABZRHYUOE-OOJXKGFFSA-N
XLogP-2.56
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 54008536
(2S,3S,4S,5R,6S)-6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 163199414
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-propan-2-yloxyoxolane-3,4-diol
CID 124638273
(2S,3R,4S,5R)-2-(chloromethyl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 130847553
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;ethane-1,2-diol
CID 69428885
(2R,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;molecular nitrogen
CID 141027968
(2R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 142629046
(3S,4R,5R,6S)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 156614239
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94011386
(3R,4S,5R,6R)-2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6326101
(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 154790998
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 173264286

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol (CID 70209053) is (2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol is OCCSO[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is XPONAABZRHYUOE-OOJXKGFFSA-N. The full InChI is InChI=1S/C8H16O7S/c9-1-2-16-15-8(4-11)7(13)6(12)5(3-10)14-8/h5-7,9-13H,1-4H2/t5-,6-,7+,8-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 256.28 g/mol, XLogP of -2.56, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 70209053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).