(2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide

C23H23FNO2P — CID 10548714

IUPAC(2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@](=O)([C@H](F)c2cccc(-c3ccccc3)c2)N1C
InChIInChI=1S/C23H23FNO2P/c1-17-22(19-12-7-4-8-13-19)27-28(26,25(17)2)23(24)21-15-9-14-20(16-21)18-10-5-3-6-11-18/h3-17,22-23H,1-2H3/t17-,22-,23-,28+/m0/s1
InChIKeyQSZSLWLULITLDH-OTBNEEQUSA-N
MW395.41 g/mol
LogP6.61
Rot. Bonds4

About (2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide

(2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (PubChem CID 10548714) has the molecular formula C23H23FNO2P and a molecular weight of 395.41 g/mol. Its IUPAC name is (2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.

Molecular Properties

Compound Name(2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
PubChem CID10548714
Molecular FormulaC23H23FNO2P
Molecular Weight395.41 g/mol
Exact Mass395.15
IUPAC Name(2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@](=O)([C@H](F)c2cccc(-c3ccccc3)c2)N1C
InChIInChI=1S/C23H23FNO2P/c1-17-22(19-12-7-4-8-13-19)27-28(26,25(17)2)23(24)21-15-9-14-20(16-21)18-10-5-3-6-11-18/h3-17,22-23H,1-2H3/t17-,22-,23-,28+/m0/s1
InChIKeyQSZSLWLULITLDH-OTBNEEQUSA-N
XLogP6.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.41
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The IUPAC name of (2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (CID 10548714) is (2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.
What is the SMILES notation for (2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The canonical SMILES for (2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is C[C@H]1[C@@H](c2ccccc2)O[P@](=O)([C@H](F)c2cccc(-c3ccccc3)c2)N1C.
What is the InChIKey of (2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The InChIKey is QSZSLWLULITLDH-OTBNEEQUSA-N. The full InChI is InChI=1S/C23H23FNO2P/c1-17-22(19-12-7-4-8-13-19)27-28(26,25(17)2)23(24)21-15-9-14-20(16-21)18-10-5-3-6-11-18/h3-17,22-23H,1-2H3/t17-,22-,23-,28+/m0/s1.
What are the key properties of (2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
(2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide has a molecular weight of 395.41 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is sourced from PubChem (CID 10548714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).