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

C12H24N4O4Si — CID 11267068

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol
SMILESC[Si](C)(C)c1c(CO)nnn1C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H24N4O4Si/c1-21(2,3)12-9(6-18)14-15-16(12)4-7-10(19)11(20)8(5-17)13-7/h7-8,10-11,13,17-20H,4-6H2,1-3H3/t7-,8-,10-,11-/m1/s1
InChIKeyDOKIWLAEDDYAGJ-YJFSRANCSA-N
MW316.43 g/mol
LogP-2.63
Rot. Bonds5

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

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol (PubChem CID 11267068) has the molecular formula C12H24N4O4Si and a molecular weight of 316.43 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol
PubChem CID11267068
Molecular FormulaC12H24N4O4Si
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol
SMILESC[Si](C)(C)c1c(CO)nnn1C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H24N4O4Si/c1-21(2,3)12-9(6-18)14-15-16(12)4-7-10(19)11(20)8(5-17)13-7/h7-8,10-11,13,17-20H,4-6H2,1-3H3/t7-,8-,10-,11-/m1/s1
InChIKeyDOKIWLAEDDYAGJ-YJFSRANCSA-N
XLogP-2.63
TPSA123.66 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-2.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol (CID 11267068) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol is C[Si](C)(C)c1c(CO)nnn1C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol?
The InChIKey is DOKIWLAEDDYAGJ-YJFSRANCSA-N. The full InChI is InChI=1S/C12H24N4O4Si/c1-21(2,3)12-9(6-18)14-15-16(12)4-7-10(19)11(20)8(5-17)13-7/h7-8,10-11,13,17-20H,4-6H2,1-3H3/t7-,8-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol has a molecular weight of 316.43 g/mol, XLogP of -2.63, 5 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-(hydroxymethyl)-5-[[4-(hydroxymethyl)-5-trimethylsilyltriazol-1-yl]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 11267068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).