(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol

C12H22O12 — CID 123286402

IUPAC(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol
SMILESOC[C@@H](O)[C@H]1O[C@H](O[C@@]2(O)O[C@H]([C@H](O)CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H22O12/c13-1-3(15)8-5(17)6(18)11(22-8)24-12(21)10(20)7(19)9(23-12)4(16)2-14/h3-11,13-21H,1-2H2/t3-,4-,5-,6+,7+,8-,9-,10+,11-,12+/m1/s1
InChIKeyIZULPARAVRJGON-BCHYZRIQSA-N
MW358.30 g/mol
LogP-6.08
Rot. Bonds6

About (2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol

(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol (PubChem CID 123286402) has the molecular formula C12H22O12 and a molecular weight of 358.30 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol
PubChem CID123286402
Molecular FormulaC12H22O12
Molecular Weight358.30 g/mol
Exact Mass358.11
IUPAC Name(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol
SMILESOC[C@@H](O)[C@H]1O[C@H](O[C@@]2(O)O[C@H]([C@H](O)CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H22O12/c13-1-3(15)8-5(17)6(18)11(22-8)24-12(21)10(20)7(19)9(23-12)4(16)2-14/h3-11,13-21H,1-2H2/t3-,4-,5-,6+,7+,8-,9-,10+,11-,12+/m1/s1
InChIKeyIZULPARAVRJGON-BCHYZRIQSA-N
XLogP-6.08
TPSA209.76 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500358.30
LogP ≤ 5-6.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
(2S,3S,4S,5S,6R)-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-2-methyloxane-2,3,4,5-tetrol
CID 140632524
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
(3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 141346275
sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
CID 173327837
O-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] carbamothioate
CID 123505822
[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
CID 101460402
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 175420137
(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol
CID 131855111
(2R,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol
CID 69116677
[(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium
CID 175617994
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol?
The IUPAC name of (2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol (CID 123286402) is (2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol.
What is the SMILES notation for (2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol?
The canonical SMILES for (2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol is OC[C@@H](O)[C@H]1O[C@H](O[C@@]2(O)O[C@H]([C@H](O)CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol?
The InChIKey is IZULPARAVRJGON-BCHYZRIQSA-N. The full InChI is InChI=1S/C12H22O12/c13-1-3(15)8-5(17)6(18)11(22-8)24-12(21)10(20)7(19)9(23-12)4(16)2-14/h3-11,13-21H,1-2H2/t3-,4-,5-,6+,7+,8-,9-,10+,11-,12+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol?
(2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol has a molecular weight of 358.30 g/mol, XLogP of -6.08, 6 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyoxolane-2,3,4-triol is sourced from PubChem (CID 123286402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).