(2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol

C24H23NO3 — CID 10948738

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@H](O)[C@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H23NO3/c26-15-21-23(28)22(27)14-25(21)24(16-8-2-1-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)24/h1-13,21-23,26-28H,14-15H2/t21-,22-,23+/m1/s1
InChIKeyJAIMZNXBACBUMW-ZLNRFVROSA-N
MW373.45 g/mol
LogP2.36
Rot. Bonds3

About (2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol (PubChem CID 10948738) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol
PubChem CID10948738
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@H](O)[C@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H23NO3/c26-15-21-23(28)22(27)14-25(21)24(16-8-2-1-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)24/h1-13,21-23,26-28H,14-15H2/t21-,22-,23+/m1/s1
InChIKeyJAIMZNXBACBUMW-ZLNRFVROSA-N
XLogP2.36
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol (CID 10948738) is (2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol is OC[C@@H]1[C@H](O)[C@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol?
The InChIKey is JAIMZNXBACBUMW-ZLNRFVROSA-N. The full InChI is InChI=1S/C24H23NO3/c26-15-21-23(28)22(27)14-25(21)24(16-8-2-1-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)24/h1-13,21-23,26-28H,14-15H2/t21-,22-,23+/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol has a molecular weight of 373.45 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 10948738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).