(2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol

C37H38NO2P — CID 15315873

IUPAC(2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
SMILESC[C@H]([C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H38NO2P/c1-30(41(40,34-23-13-5-14-24-34)35-25-15-6-16-26-35)37(39)36(27-31-17-7-2-8-18-31)38(28-32-19-9-3-10-20-32)29-33-21-11-4-12-22-33/h2-26,30,36-37,39H,27-29H2,1H3/t30-,36+,37-/m1/s1
InChIKeyZHFOLWLGRFZIQX-GLNWLRIMSA-N
MW559.69 g/mol
LogP7.06
Rot. Bonds12

About (2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol

(2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol (PubChem CID 15315873) has the molecular formula C37H38NO2P and a molecular weight of 559.69 g/mol. Its IUPAC name is (2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
PubChem CID15315873
Molecular FormulaC37H38NO2P
Molecular Weight559.69 g/mol
Exact Mass559.26
IUPAC Name(2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
SMILESC[C@H]([C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H38NO2P/c1-30(41(40,34-23-13-5-14-24-34)35-25-15-6-16-26-35)37(39)36(27-31-17-7-2-8-18-31)38(28-32-19-9-3-10-20-32)29-33-21-11-4-12-22-33/h2-26,30,36-37,39H,27-29H2,1H3/t30-,36+,37-/m1/s1
InChIKeyZHFOLWLGRFZIQX-GLNWLRIMSA-N
XLogP7.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.69
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
CID 15315874
(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
CID 58894379
(2R,3S)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-phenylbutan-2-ol
CID 11190239
(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol
CID 11142964
[3-(dibenzylamino)-2-hydroxy-4-phenylbutyl] acetate
CID 53395265
(2R,3S)-1-chloro-3-(dibenzylamino)-4-phenylbutan-2-ol;hydrochloride
CID 69339752
ethyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-phenylpentanoate
CID 14463509
(1R,2S)-2-(dibenzylamino)-1-[ethoxy(prop-2-enyl)phosphoryl]-3-phenylpropan-1-ol
CID 101231689
(2-diphenylphosphoryl-3-phenylpropyl)benzene
CID 162399003
(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide
CID 142682853
(2S,3S)-2-acetyloxy-3-(dibenzylamino)-4-phenylbutanoic acid
CID 22880944
(2S,3S,4S)-2-(dibenzylamino)-4-methyl-1-pyridin-3-ylhex-5-en-3-ol
CID 118347056

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol?
The IUPAC name of (2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol (CID 15315873) is (2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol.
What is the SMILES notation for (2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol?
The canonical SMILES for (2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol is C[C@H]([C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol?
The InChIKey is ZHFOLWLGRFZIQX-GLNWLRIMSA-N. The full InChI is InChI=1S/C37H38NO2P/c1-30(41(40,34-23-13-5-14-24-34)35-25-15-6-16-26-35)37(39)36(27-31-17-7-2-8-18-31)38(28-32-19-9-3-10-20-32)29-33-21-11-4-12-22-33/h2-26,30,36-37,39H,27-29H2,1H3/t30-,36+,37-/m1/s1.
What are the key properties of (2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol?
(2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol has a molecular weight of 559.69 g/mol, XLogP of 7.06, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol is sourced from PubChem (CID 15315873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).