(2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol

C12H22O10 — CID 91545733

IUPAC(2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](CO)[C@](O)([C@@]2(O)CO[C@H](CO)[C@@H](O)[C@@H]2O)[C@H]1O
InChIInChI=1S/C12H22O10/c1-20-10-9(17)12(19,6(3-14)22-10)11(18)4-21-5(2-13)7(15)8(11)16/h5-10,13-19H,2-4H2,1H3/t5-,6-,7-,8+,9+,10+,11-,12-/m1/s1
InChIKeyCLUNRTUJIROBGM-WCYSPJDLSA-N
MW326.30 g/mol
LogP-4.71
Rot. Bonds4

About (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol

(2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 91545733) has the molecular formula C12H22O10 and a molecular weight of 326.30 g/mol. Its IUPAC name is (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID91545733
Molecular FormulaC12H22O10
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Name(2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](CO)[C@](O)([C@@]2(O)CO[C@H](CO)[C@@H](O)[C@@H]2O)[C@H]1O
InChIInChI=1S/C12H22O10/c1-20-10-9(17)12(19,6(3-14)22-10)11(18)4-21-5(2-13)7(15)8(11)16/h5-10,13-19H,2-4H2,1H3/t5-,6-,7-,8+,9+,10+,11-,12-/m1/s1
InChIKeyCLUNRTUJIROBGM-WCYSPJDLSA-N
XLogP-4.71
TPSA169.30 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.30
LogP ≤ 5-4.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol (CID 91545733) is (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol is CO[C@H]1O[C@H](CO)[C@](O)([C@@]2(O)CO[C@H](CO)[C@@H](O)[C@@H]2O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is CLUNRTUJIROBGM-WCYSPJDLSA-N. The full InChI is InChI=1S/C12H22O10/c1-20-10-9(17)12(19,6(3-14)22-10)11(18)4-21-5(2-13)7(15)8(11)16/h5-10,13-19H,2-4H2,1H3/t5-,6-,7-,8+,9+,10+,11-,12-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 326.30 g/mol, XLogP of -4.71, 4 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-2-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 91545733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).