(2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid

C19H21FO5 — CID 175699300

IUPAC(2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid
SMILESO=C(O)[C@@H](F)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C19H21FO5/c20-17(19(22)23)18(25-12-15-9-5-2-6-10-15)16(21)13-24-11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13H2,(H,22,23)/t16-,17+,18-/m1/s1
InChIKeyDTDCWJUTPFCCDV-FGTMMUONSA-N
MW348.37 g/mol
LogP2.57
Rot. Bonds10

About (2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid

(2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid (PubChem CID 175699300) has the molecular formula C19H21FO5 and a molecular weight of 348.37 g/mol. Its IUPAC name is (2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid.

Molecular Properties

Compound Name(2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid
PubChem CID175699300
Molecular FormulaC19H21FO5
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name(2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid
SMILESO=C(O)[C@@H](F)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C19H21FO5/c20-17(19(22)23)18(25-12-15-9-5-2-6-10-15)16(21)13-24-11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13H2,(H,22,23)/t16-,17+,18-/m1/s1
InChIKeyDTDCWJUTPFCCDV-FGTMMUONSA-N
XLogP2.57
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid?
The IUPAC name of (2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid (CID 175699300) is (2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid.
What is the SMILES notation for (2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid?
The canonical SMILES for (2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid is O=C(O)[C@@H](F)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid?
The InChIKey is DTDCWJUTPFCCDV-FGTMMUONSA-N. The full InChI is InChI=1S/C19H21FO5/c20-17(19(22)23)18(25-12-15-9-5-2-6-10-15)16(21)13-24-11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13H2,(H,22,23)/t16-,17+,18-/m1/s1.
What are the key properties of (2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid?
(2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid has a molecular weight of 348.37 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)pentanoic acid is sourced from PubChem (CID 175699300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).