(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

C12H23NO9 — CID 100989165

IUPAC(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
SMILESOC[C@H]1N[C@H]([C@H](O)CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO9/c14-1-5-8(17)9(18)7(13-5)6(16)2-21-11-10(19)12(20,3-15)4-22-11/h5-11,13-20H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1
InChIKeyQEGKMWNUSCPRPO-FYKVHUBJSA-N
MW325.31 g/mol
LogP-5.14
Rot. Bonds6

About (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

(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 (PubChem CID 100989165) has the molecular formula C12H23NO9 and a molecular weight of 325.31 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID100989165
Molecular FormulaC12H23NO9
Molecular Weight325.31 g/mol
Exact Mass325.14
IUPAC Name(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
SMILESOC[C@H]1N[C@H]([C@H](O)CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO9/c14-1-5-8(17)9(18)7(13-5)6(16)2-21-11-10(19)12(20,3-15)4-22-11/h5-11,13-20H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1
InChIKeyQEGKMWNUSCPRPO-FYKVHUBJSA-N
XLogP-5.14
TPSA172.10 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.31
LogP ≤ 5-5.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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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
1,4-Dideoxy-1,4-imino-(2-o-beta-d-glucopyranosyl)-d-arabinitol
CID 9971719
(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
(2S,3S,4S,5S,6R)-2-((2R,3S,4S,5R,6R)-3,5-dihydroxy-2-((2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 10391299
[(2R,3R,4R)-3,4-Dihydroxypyrrolidin-2-yl]methyl beta-D-glucopyranoside
CID 11822547
Broussonetine G
CID 10338519
2-[4-Hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 85079268
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is OC[C@H]1N[C@H]([C@H](O)CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (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?
The InChIKey is QEGKMWNUSCPRPO-FYKVHUBJSA-N. The full InChI is InChI=1S/C12H23NO9/c14-1-5-8(17)9(18)7(13-5)6(16)2-21-11-10(19)12(20,3-15)4-22-11/h5-11,13-20H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 325.31 g/mol, XLogP of -5.14, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 100989165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).