(2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol

C17H19N3O2 — CID 134957944

IUPAC(2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol
SMILESC[C@](O)(c1ccccc1)[C@@H](O)[C@@](C)(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-16(19-20-18,13-9-5-3-6-10-13)15(21)17(2,22)14-11-7-4-8-12-14/h3-12,15,21-22H,1-2H3/t15-,16-,17-/m0/s1
InChIKeyJWUZYZZCFXYRSE-ULQDDVLXSA-N
MW297.36 g/mol
LogP3.48
Rot. Bonds5

About (2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol

(2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol (PubChem CID 134957944) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol.

Molecular Properties

Compound Name(2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol
PubChem CID134957944
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol
SMILESC[C@](O)(c1ccccc1)[C@@H](O)[C@@](C)(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-16(19-20-18,13-9-5-3-6-10-13)15(21)17(2,22)14-11-7-4-8-12-14/h3-12,15,21-22H,1-2H3/t15-,16-,17-/m0/s1
InChIKeyJWUZYZZCFXYRSE-ULQDDVLXSA-N
XLogP3.48
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol?
The IUPAC name of (2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol (CID 134957944) is (2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol.
What is the SMILES notation for (2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol?
The canonical SMILES for (2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol is C[C@](O)(c1ccccc1)[C@@H](O)[C@@](C)(N=[N+]=[N-])c1ccccc1.
What is the InChIKey of (2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol?
The InChIKey is JWUZYZZCFXYRSE-ULQDDVLXSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-16(19-20-18,13-9-5-3-6-10-13)15(21)17(2,22)14-11-7-4-8-12-14/h3-12,15,21-22H,1-2H3/t15-,16-,17-/m0/s1.
What are the key properties of (2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol?
(2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol has a molecular weight of 297.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-azido-2,4-diphenylpentane-2,3-diol is sourced from PubChem (CID 134957944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).