(3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol

C8H16O7 — CID 141346275

IUPAC(3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
SMILES[2H]C(O)COC1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H16O7/c9-1-2-14-8-6(13)5(12)7(15-8)4(11)3-10/h4-13H,1-3H2/t4-,5-,6+,7-,8?/m1/s1/i1D/t1?,4-,5-,6+,7-,8?
InChIKeyXSFGRKYRICZIOT-QRZIJQQNSA-N
MW225.22 g/mol
LogP-3.20
Rot. Bonds5

About (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol

(3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol (PubChem CID 141346275) has the molecular formula C8H16O7 and a molecular weight of 225.22 g/mol. Its IUPAC name is (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
PubChem CID141346275
Molecular FormulaC8H16O7
Molecular Weight225.22 g/mol
Exact Mass225.10
IUPAC Name(3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
SMILES[2H]C(O)COC1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H16O7/c9-1-2-14-8-6(13)5(12)7(15-8)4(11)3-10/h4-13H,1-3H2/t4-,5-,6+,7-,8?/m1/s1/i1D/t1?,4-,5-,6+,7-,8?
InChIKeyXSFGRKYRICZIOT-QRZIJQQNSA-N
XLogP-3.20
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-3.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484
(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988485
(2R,3R,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-dodecoxyoxolane-3,4-diol
CID 11382473
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride
CID 173338676
sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
CID 173327837
(2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol
CID 10569286
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91847258
(2S,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(2S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 10004100
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[(1R)-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 102407270
[(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium
CID 175617994

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The IUPAC name of (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol (CID 141346275) is (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol.
What is the SMILES notation for (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The canonical SMILES for (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol is [2H]C(O)COC1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The InChIKey is XSFGRKYRICZIOT-QRZIJQQNSA-N. The full InChI is InChI=1S/C8H16O7/c9-1-2-14-8-6(13)5(12)7(15-8)4(11)3-10/h4-13H,1-3H2/t4-,5-,6+,7-,8?/m1/s1/i1D/t1?,4-,5-,6+,7-,8?.
What are the key properties of (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
(3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol has a molecular weight of 225.22 g/mol, XLogP of -3.20, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol is sourced from PubChem (CID 141346275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).