(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol

C15H23NO5 — CID 46199751

IUPAC(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCOCc1ccccc1
InChIInChI=1S/C15H23NO5/c17-8-12-14(19)15(20)13(9-18)16(12)6-7-21-10-11-4-2-1-3-5-11/h1-5,12-15,17-20H,6-10H2/t12-,13-,14-,15-/m1/s1
InChIKeyORUCNZXRSJXRCD-KBUPBQIOSA-N
MW297.35 g/mol
LogP-1.04
Rot. Bonds7

About (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol

(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol (PubChem CID 46199751) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol
PubChem CID46199751
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCOCc1ccccc1
InChIInChI=1S/C15H23NO5/c17-8-12-14(19)15(20)13(9-18)16(12)6-7-21-10-11-4-2-1-3-5-11/h1-5,12-15,17-20H,6-10H2/t12-,13-,14-,15-/m1/s1
InChIKeyORUCNZXRSJXRCD-KBUPBQIOSA-N
XLogP-1.04
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol (CID 46199751) is (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol is OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCOCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol?
The InChIKey is ORUCNZXRSJXRCD-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H23NO5/c17-8-12-14(19)15(20)13(9-18)16(12)6-7-21-10-11-4-2-1-3-5-11/h1-5,12-15,17-20H,6-10H2/t12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol has a molecular weight of 297.35 g/mol, XLogP of -1.04, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-phenylmethoxyethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 46199751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).