(2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C13H25NO10 — CID 162959756

IUPAC(2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1N[C@@H]([C@H](O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C13H25NO10/c15-1-4-8(18)10(20)7(14-4)5(17)3-23-13-12(22)11(21)9(19)6(2-16)24-13/h4-22H,1-3H2/t4-,5-,6-,7+,8+,9-,10+,11+,12-,13-/m1/s1
InChIKeyXLQAJXIEMKLTBW-HLPZVLIZSA-N
MW355.34 g/mol
LogP-5.78
Rot. Bonds6

About (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 162959756) has the molecular formula C13H25NO10 and a molecular weight of 355.34 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID162959756
Molecular FormulaC13H25NO10
Molecular Weight355.34 g/mol
Exact Mass355.15
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1N[C@@H]([C@H](O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C13H25NO10/c15-1-4-8(18)10(20)7(14-4)5(17)3-23-13-12(22)11(21)9(19)6(2-16)24-13/h4-22H,1-3H2/t4-,5-,6-,7+,8+,9-,10+,11+,12-,13-/m1/s1
InChIKeyXLQAJXIEMKLTBW-HLPZVLIZSA-N
XLogP-5.78
TPSA192.33 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500355.34
LogP ≤ 5-5.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
CID 457676
2-(((2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-(((2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-YL)oxy)-2-(hydroxymethyl)oxan-3-YL)oxy)-6-methyloxane-3,4,5-triol, (2S,3R,4S,5S,6R)-
CID 9846130
(13R)-13-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-13-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytridecan-5-one
CID 10506226
(13R)-13-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-13-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytridecan-4-one
CID 10530062
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 162959756) is (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1N[C@@H]([C@H](O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is XLQAJXIEMKLTBW-HLPZVLIZSA-N. The full InChI is InChI=1S/C13H25NO10/c15-1-4-8(18)10(20)7(14-4)5(17)3-23-13-12(22)11(21)9(19)6(2-16)24-13/h4-22H,1-3H2/t4-,5-,6-,7+,8+,9-,10+,11+,12-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 355.34 g/mol, XLogP of -5.78, 6 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[(2S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 162959756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).