(4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol

C24H28NO3P — CID 102494361

IUPAC(4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol
SMILESC[C@@](NP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)[C@@H](O)CCCO
InChIInChI=1S/C24H28NO3P/c1-24(23(27)18-11-19-26,20-12-5-2-6-13-20)25-29(28,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17,23,26-27H,11,18-19H2,1H3,(H,25,28)/t23-,24+/m0/s1
InChIKeyALWQFNYCPDUAEP-BJKOFHAPSA-N
MW409.47 g/mol
LogP3.55
Rot. Bonds9

About (4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol

(4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol (PubChem CID 102494361) has the molecular formula C24H28NO3P and a molecular weight of 409.47 g/mol. Its IUPAC name is (4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol.

Molecular Properties

Compound Name(4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol
PubChem CID102494361
Molecular FormulaC24H28NO3P
Molecular Weight409.47 g/mol
Exact Mass409.18
IUPAC Name(4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol
SMILESC[C@@](NP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)[C@@H](O)CCCO
InChIInChI=1S/C24H28NO3P/c1-24(23(27)18-11-19-26,20-12-5-2-6-13-20)25-29(28,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17,23,26-27H,11,18-19H2,1H3,(H,25,28)/t23-,24+/m0/s1
InChIKeyALWQFNYCPDUAEP-BJKOFHAPSA-N
XLogP3.55
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol
CID 102204154
ethyl (2S,3S)-3-(4-chlorophenyl)-3-(diphenylphosphorylamino)-2-methylbutanoate
CID 102027658
(1R)-N-diphenylphosphoryl-1-isocyano-1-phenylethanamine
CID 134998534
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
4-(butylamino)-4-diphenylphosphorylbutan-1-ol
CID 162408899
ethyl (2S,3S)-3-(diphenylphosphorylamino)-2-methyl-3-naphthalen-2-ylbutanoate
CID 135003944
N-diphenylphosphoryl-1-(4-methylphenyl)sulfonyl-5-trityloxypentan-1-amine
CID 102476646
4-[methyl(phenyl)phosphoryl]butan-1-ol
CID 541481
2-(diphenylphosphorylamino)-3-methylbutan-1-ol
CID 23241768
(2S,4S)-7-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(tritylamino)heptanoic acid
CID 71002744
1-diphenylphosphoryl-1-phenylethanol
CID 155934602
(1R)-N-diphenylphosphoryl-1-isocyano-1-(4-methylphenyl)ethanamine
CID 134998544

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol?
The IUPAC name of (4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol (CID 102494361) is (4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol.
What is the SMILES notation for (4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol?
The canonical SMILES for (4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol is C[C@@](NP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)[C@@H](O)CCCO.
What is the InChIKey of (4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol?
The InChIKey is ALWQFNYCPDUAEP-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H28NO3P/c1-24(23(27)18-11-19-26,20-12-5-2-6-13-20)25-29(28,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17,23,26-27H,11,18-19H2,1H3,(H,25,28)/t23-,24+/m0/s1.
What are the key properties of (4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol?
(4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol has a molecular weight of 409.47 g/mol, XLogP of 3.55, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(diphenylphosphorylamino)-5-phenylhexane-1,4-diol is sourced from PubChem (CID 102494361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).