(3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide

C24H26NO3P — CID 10573442

IUPAC(3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
SMILESCOP1(=O)OC[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H26NO3P/c1-27-29(26)24(17-20-11-5-2-6-12-20)25(18-21-13-7-3-8-14-21)23(19-28-29)22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3/t23-,24-,29?/m0/s1
InChIKeyLUPGMIKAYFLPMO-AOHZEJALSA-N
MW407.45 g/mol
LogP5.67
Rot. Bonds6

About (3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide

(3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide (PubChem CID 10573442) has the molecular formula C24H26NO3P and a molecular weight of 407.45 g/mol. Its IUPAC name is (3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide.

Molecular Properties

Compound Name(3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
PubChem CID10573442
Molecular FormulaC24H26NO3P
Molecular Weight407.45 g/mol
Exact Mass407.17
IUPAC Name(3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
SMILESCOP1(=O)OC[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H26NO3P/c1-27-29(26)24(17-20-11-5-2-6-12-20)25(18-21-13-7-3-8-14-21)23(19-28-29)22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3/t23-,24-,29?/m0/s1
InChIKeyLUPGMIKAYFLPMO-AOHZEJALSA-N
XLogP5.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine
CID 10948834
(1R,2S)-2-(dibenzylamino)-1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 11123489
(2R,3S)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-phenylbutan-2-ol
CID 11190239
(2S,5S)-4-benzyl-2-ethoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
CID 11427522
(2R)-2-[(2R,6S)-2,6-diphenylpiperidin-1-yl]-2-phenylethanol
CID 15327282
(2R)-3-benzhydryl-2-[(3S)-hex-5-en-3-yl]-1,3,2lambda5-oxazaphosphinane 2-oxide
CID 21589990
(2R)-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine
CID 102322851
1-Benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine
CID 102449166
(1s,2s)-2-(Dibenzylamino)-1-hydroxy-3-phenyl-propylphosphonic acid
CID 129764109
(1r,2s)-2-(Dibenzylamino)-1-hydroxy-3-phenyl-propylphosphonic acid
CID 129764129
(2r,3s)-2-(Dibenzylamino)-1-hydroxy-3-phenylpropylphosphonate
CID 129764163
(2r,3r,5s)-5-Benzyl-2-ethoxy-3-phenyl[1,4,2]oxazaphosphinane 2-oxide
CID 129841746

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide?
The IUPAC name of (3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide (CID 10573442) is (3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide.
What is the SMILES notation for (3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide?
The canonical SMILES for (3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide is COP1(=O)OC[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide?
The InChIKey is LUPGMIKAYFLPMO-AOHZEJALSA-N. The full InChI is InChI=1S/C24H26NO3P/c1-27-29(26)24(17-20-11-5-2-6-12-20)25(18-21-13-7-3-8-14-21)23(19-28-29)22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3/t23-,24-,29?/m0/s1.
What are the key properties of (3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide?
(3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide has a molecular weight of 407.45 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,4-dibenzyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide is sourced from PubChem (CID 10573442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).