(2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol

C22H24NOP — CID 23628748

IUPAC(2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NOP/c23-21(16-18-10-4-1-5-11-18)22(24)17-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,24H,16-17,23H2/t21-,22+/m0/s1
InChIKeyKRAUGCBBFUFDNS-FCHUYYIVSA-N
MW349.41 g/mol
LogP3.05
Rot. Bonds7

About (2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol

(2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol (PubChem CID 23628748) has the molecular formula C22H24NOP and a molecular weight of 349.41 g/mol. Its IUPAC name is (2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol
PubChem CID23628748
Molecular FormulaC22H24NOP
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name(2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NOP/c23-21(16-18-10-4-1-5-11-18)22(24)17-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,24H,16-17,23H2/t21-,22+/m0/s1
InChIKeyKRAUGCBBFUFDNS-FCHUYYIVSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
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 (2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol?
The IUPAC name of (2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol (CID 23628748) is (2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol is N[C@@H](Cc1ccccc1)[C@H](O)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol?
The InChIKey is KRAUGCBBFUFDNS-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H24NOP/c23-21(16-18-10-4-1-5-11-18)22(24)17-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,24H,16-17,23H2/t21-,22+/m0/s1.
What are the key properties of (2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol?
(2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol has a molecular weight of 349.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-1-diphenylphosphanyl-4-phenylbutan-2-ol is sourced from PubChem (CID 23628748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).