2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide

C25H26NO7P — CID 59064632

IUPAC2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
SMILESO=C(N[C@H]1C(O)OC(CO)[C@H](O)C1O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NO7P/c27-15-19-22(28)23(29)21(25(31)33-19)26-24(30)18-13-7-8-14-20(18)34(32,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,19,21-23,25,27-29,31H,15H2,(H,26,30)/t19?,21-,22+,23?,25?/m1/s1
InChIKeyPKJCTEYAPLJKIB-VAVSBIDJSA-N
MW483.46 g/mol
LogP-0.14
Rot. Bonds6

About 2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide

2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide (PubChem CID 59064632) has the molecular formula C25H26NO7P and a molecular weight of 483.46 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
PubChem CID59064632
Molecular FormulaC25H26NO7P
Molecular Weight483.46 g/mol
Exact Mass483.14
IUPAC Name2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
SMILESO=C(N[C@H]1C(O)OC(CO)[C@H](O)C1O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NO7P/c27-15-19-22(28)23(29)21(25(31)33-19)26-24(30)18-13-7-8-14-20(18)34(32,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,19,21-23,25,27-29,31H,15H2,(H,26,30)/t19?,21-,22+,23?,25?/m1/s1
InChIKeyPKJCTEYAPLJKIB-VAVSBIDJSA-N
XLogP-0.14
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.46
LogP ≤ 5-0.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 57340112
[(3S,4S)-5-[(2-diphenylphosphorylbenzoyl)amino]-6-hydroxy-3,4-dimethyloxan-2-yl]methyl acetate
CID 88897747
3-bromo-N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 162533973
3-bromo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 162533961
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide
CID 134460654
2-phenylmethoxy-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718672
2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzoic acid
CID 72999131
phosphoric acid;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 135349447
acetic acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158802071
[4-oxo-4-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]butyl]-triphenylphosphanium
CID 101349422
(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11565251
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
The IUPAC name of 2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide (CID 59064632) is 2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide.
What is the SMILES notation for 2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
The canonical SMILES for 2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide is O=C(N[C@H]1C(O)OC(CO)[C@H](O)C1O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
The InChIKey is PKJCTEYAPLJKIB-VAVSBIDJSA-N. The full InChI is InChI=1S/C25H26NO7P/c27-15-19-22(28)23(29)21(25(31)33-19)26-24(30)18-13-7-8-14-20(18)34(32,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,19,21-23,25,27-29,31H,15H2,(H,26,30)/t19?,21-,22+,23?,25?/m1/s1.
What are the key properties of 2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide has a molecular weight of 483.46 g/mol, XLogP of -0.14, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide is sourced from PubChem (CID 59064632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).