(2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one

C25H22NO4P — CID 135055281

IUPAC(2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)[C@H](O)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C25H22NO4P/c27-24(19-11-4-1-5-12-19)25(28)23(22-17-10-18-30-22)26-31(29,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,23,25,28H,(H,26,29)/t23-,25+/m0/s1
InChIKeyBECMJLFZRIOIQR-UKILVPOCSA-N
MW431.43 g/mol
LogP4.08
Rot. Bonds8

About (2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one

(2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one (PubChem CID 135055281) has the molecular formula C25H22NO4P and a molecular weight of 431.43 g/mol. Its IUPAC name is (2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one
PubChem CID135055281
Molecular FormulaC25H22NO4P
Molecular Weight431.43 g/mol
Exact Mass431.13
IUPAC Name(2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)[C@H](O)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C25H22NO4P/c27-24(19-11-4-1-5-12-19)25(28)23(22-17-10-18-30-22)26-31(29,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,23,25,28H,(H,26,29)/t23-,25+/m0/s1
InChIKeyBECMJLFZRIOIQR-UKILVPOCSA-N
XLogP4.08
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine
CID 132838677
2-(diphenylphosphorylamino)-1,2-diphenylethanone
CID 86012008
2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
2,3,4,4-tetrahydroxy-1-phenylbutan-1-one
CID 66852156
N-[chloro(furan-2-yl)methyl]benzamide
CID 174775719
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
anilino(furan-2-yl)methanol
CID 143292657
N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 44615045
(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid
CID 66658289
2-(furan-2-yl)propanedioic acid
CID 19790856

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one?
The IUPAC name of (2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one (CID 135055281) is (2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one.
What is the SMILES notation for (2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one?
The canonical SMILES for (2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one is O=C(c1ccccc1)[C@H](O)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccco1.
What is the InChIKey of (2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one?
The InChIKey is BECMJLFZRIOIQR-UKILVPOCSA-N. The full InChI is InChI=1S/C25H22NO4P/c27-24(19-11-4-1-5-12-19)25(28)23(22-17-10-18-30-22)26-31(29,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,23,25,28H,(H,26,29)/t23-,25+/m0/s1.
What are the key properties of (2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one?
(2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one has a molecular weight of 431.43 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one is sourced from PubChem (CID 135055281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).