(2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol

C11H21NO7 — CID 134853724

IUPAC(2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol
SMILESOC[C@@H]1N[C@H](CC[C@@H]2O[C@@H](O)C(O)C2O)C(O)C1O
InChIInChI=1S/C11H21NO7/c13-3-5-8(15)7(14)4(12-5)1-2-6-9(16)10(17)11(18)19-6/h4-18H,1-3H2/t4-,5+,6+,7?,8?,9?,10?,11-/m1/s1
InChIKeyHYKLWQLQJSYFOZ-DNFUPVBCSA-N
MW279.29 g/mol
LogP-3.74
Rot. Bonds4

About (2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol

(2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol (PubChem CID 134853724) has the molecular formula C11H21NO7 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol
PubChem CID134853724
Molecular FormulaC11H21NO7
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC Name(2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol
SMILESOC[C@@H]1N[C@H](CC[C@@H]2O[C@@H](O)C(O)C2O)C(O)C1O
InChIInChI=1S/C11H21NO7/c13-3-5-8(15)7(14)4(12-5)1-2-6-9(16)10(17)11(18)19-6/h4-18H,1-3H2/t4-,5+,6+,7?,8?,9?,10?,11-/m1/s1
InChIKeyHYKLWQLQJSYFOZ-DNFUPVBCSA-N
XLogP-3.74
TPSA142.64 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.29
LogP ≤ 5-3.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

(2r,3r,4r,5r)-4-Hydroxy-2,5-Bis(Hydroxymethyl)pyrrolidin-3-Yl Alpha-D-Glucopyranoside
CID 10947328
(2R,3R,4R,5R)-2-[(1R)-5-[(5R,7R)-1,6-dioxaspiro[4.5]decan-7-yl]-1-hydroxypentyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 11233693
(2R,3S,4S,5S,6R)-2-((2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 10246556
Broussonetine G
CID 10338519
(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1,2,7-triol
CID 72199333
(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11616814
(2R,3R,4S,5R)-2-[(2S)-2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]oxane-3,4,5-triol
CID 15489823
2-[4-Hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 73030944
(2R,3R,4R,5R)-2-[(1S)-2-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 100989165
(2R,3R,4R,5R)-2-[(1R)-5-(1,6-dioxaspiro[4.5]decan-7-yl)-1-hydroxypentyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 102120240
(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
(2S,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 162973395

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol?
The IUPAC name of (2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol (CID 134853724) is (2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol?
The canonical SMILES for (2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol is OC[C@@H]1N[C@H](CC[C@@H]2O[C@@H](O)C(O)C2O)C(O)C1O.
What is the InChIKey of (2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol?
The InChIKey is HYKLWQLQJSYFOZ-DNFUPVBCSA-N. The full InChI is InChI=1S/C11H21NO7/c13-3-5-8(15)7(14)4(12-5)1-2-6-9(16)10(17)11(18)19-6/h4-18H,1-3H2/t4-,5+,6+,7?,8?,9?,10?,11-/m1/s1.
What are the key properties of (2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol?
(2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol has a molecular weight of 279.29 g/mol, XLogP of -3.74, 4 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 134853724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).