(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one

C15H13N3O2 — CID 10445684

IUPAC(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one
SMILES[N-]=[N+]=N[C@H](C(=O)c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c16-18-17-13(14(19)11-7-3-1-4-8-11)15(20)12-9-5-2-6-10-12/h1-10,13-14,19H/t13-,14+/m0/s1
InChIKeyXLHZXJOXFBTJEG-UONOGXRCSA-N
MW267.29 g/mol
LogP3.28
Rot. Bonds5

About (2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one

(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one (PubChem CID 10445684) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one
PubChem CID10445684
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one
SMILES[N-]=[N+]=N[C@H](C(=O)c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c16-18-17-13(14(19)11-7-3-1-4-8-11)15(20)12-9-5-2-6-10-12/h1-10,13-14,19H/t13-,14+/m0/s1
InChIKeyXLHZXJOXFBTJEG-UONOGXRCSA-N
XLogP3.28
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one
CID 10262355
methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate
CID 15138856
(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one
CID 46221169
azido(phenyl)methanol
CID 59611949
2-chloro-3-hydroxy-1,3-diphenylpropan-1-one
CID 12060204
(2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one
CID 11360131
3-[azido(phenyl)methyl]benzoic acid
CID 71093139
2-hydroxy-1,2-diphenylethanone
CID 159399559
(2S,3R)-2-azido-3-(4-chlorophenyl)-3-phenylpropanoic acid
CID 90046539
(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
CID 14448660
N-[4-[(1R,2S)-2-azido-1-hydroxy-2-phenylethyl]phenyl]acetamide
CID 100913762

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one?
The IUPAC name of (2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one (CID 10445684) is (2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one.
What is the SMILES notation for (2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one?
The canonical SMILES for (2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one is [N-]=[N+]=N[C@H](C(=O)c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one?
The InChIKey is XLHZXJOXFBTJEG-UONOGXRCSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-18-17-13(14(19)11-7-3-1-4-8-11)15(20)12-9-5-2-6-10-12/h1-10,13-14,19H/t13-,14+/m0/s1.
What are the key properties of (2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one?
(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one has a molecular weight of 267.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one is sourced from PubChem (CID 10445684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).