[(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol

C8H17NO4 — CID 15336709

IUPAC[(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1[C@@H](CO)[C@H](CO)N[C@H]1CO
InChIInChI=1S/C8H17NO4/c10-1-5-6(2-11)8(4-13)9-7(5)3-12/h5-13H,1-4H2/t5-,6-,7+,8+/m1/s1
InChIKeyHIPBWGZLTUONRP-NGJRWZKOSA-N
MW191.23 g/mol
LogP-2.47
Rot. Bonds4

About [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol

[(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol (PubChem CID 15336709) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol
PubChem CID15336709
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name[(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1[C@@H](CO)[C@H](CO)N[C@H]1CO
InChIInChI=1S/C8H17NO4/c10-1-5-6(2-11)8(4-13)9-7(5)3-12/h5-13H,1-4H2/t5-,6-,7+,8+/m1/s1
InChIKeyHIPBWGZLTUONRP-NGJRWZKOSA-N
XLogP-2.47
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-2.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol (CID 15336709) is [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol is OC[C@@H]1[C@@H](CO)[C@H](CO)N[C@H]1CO.
What is the InChIKey of [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol?
The InChIKey is HIPBWGZLTUONRP-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H17NO4/c10-1-5-6(2-11)8(4-13)9-7(5)3-12/h5-13H,1-4H2/t5-,6-,7+,8+/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol?
[(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol has a molecular weight of 191.23 g/mol, XLogP of -2.47, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 15336709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).