(2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol

C11H20O9 — CID 90731873

IUPAC(2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@](O)([C@]2(O)CO[C@H](CO)[C@H]2O)[C@@H]1O
InChIInChI=1S/C11H20O9/c1-18-9-8(15)11(17,6(3-13)20-9)10(16)4-19-5(2-12)7(10)14/h5-9,12-17H,2-4H2,1H3/t5-,6-,7-,8-,9+,10+,11-/m1/s1
InChIKeyXEVAVSYLFWOWIA-IOZXZGRQSA-N
MW296.27 g/mol
LogP-4.07
Rot. Bonds4

About (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol

(2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol (PubChem CID 90731873) has the molecular formula C11H20O9 and a molecular weight of 296.27 g/mol. Its IUPAC name is (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
PubChem CID90731873
Molecular FormulaC11H20O9
Molecular Weight296.27 g/mol
Exact Mass296.11
IUPAC Name(2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@](O)([C@]2(O)CO[C@H](CO)[C@H]2O)[C@@H]1O
InChIInChI=1S/C11H20O9/c1-18-9-8(15)11(17,6(3-13)20-9)10(16)4-19-5(2-12)7(10)14/h5-9,12-17H,2-4H2,1H3/t5-,6-,7-,8-,9+,10+,11-/m1/s1
InChIKeyXEVAVSYLFWOWIA-IOZXZGRQSA-N
XLogP-4.07
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.27
LogP ≤ 5-4.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol (CID 90731873) is (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol is CO[C@H]1O[C@H](CO)[C@](O)([C@]2(O)CO[C@H](CO)[C@H]2O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol?
The InChIKey is XEVAVSYLFWOWIA-IOZXZGRQSA-N. The full InChI is InChI=1S/C11H20O9/c1-18-9-8(15)11(17,6(3-13)20-9)10(16)4-19-5(2-12)7(10)14/h5-9,12-17H,2-4H2,1H3/t5-,6-,7-,8-,9+,10+,11-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol?
(2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol has a molecular weight of 296.27 g/mol, XLogP of -4.07, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-3-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol is sourced from PubChem (CID 90731873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).