(2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol

C10H18N4O4 — CID 11149583

IUPAC(2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCC(O)c1cn(C[C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)nn1
InChIInChI=1S/C10H18N4O4/c1-5(16)6-2-14(13-12-6)3-7-9(17)10(18)8(4-15)11-7/h2,5,7-11,15-18H,3-4H2,1H3/t5?,7-,8-,9-,10-/m1/s1
InChIKeyODZRAYSPNKYUDQ-ZADJLXCWSA-N
MW258.28 g/mol
LogP-2.61
Rot. Bonds4

About (2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol

(2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 11149583) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID11149583
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Name(2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCC(O)c1cn(C[C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)nn1
InChIInChI=1S/C10H18N4O4/c1-5(16)6-2-14(13-12-6)3-7-9(17)10(18)8(4-15)11-7/h2,5,7-11,15-18H,3-4H2,1H3/t5?,7-,8-,9-,10-/m1/s1
InChIKeyODZRAYSPNKYUDQ-ZADJLXCWSA-N
XLogP-2.61
TPSA123.66 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-2.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol (CID 11149583) is (2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol is CC(O)c1cn(C[C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)nn1.
What is the InChIKey of (2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is ODZRAYSPNKYUDQ-ZADJLXCWSA-N. The full InChI is InChI=1S/C10H18N4O4/c1-5(16)6-2-14(13-12-6)3-7-9(17)10(18)8(4-15)11-7/h2,5,7-11,15-18H,3-4H2,1H3/t5?,7-,8-,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 258.28 g/mol, XLogP of -2.61, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 11149583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).