(4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine

C30H30NO2P — CID 134885420

IUPAC(4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine
SMILESCCOP1O[C@H](c2ccccc2)[C@H](C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30NO2P/c1-3-32-34-31(24(2)29(33-34)25-16-8-4-9-17-25)30(26-18-10-5-11-19-26,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24,29H,3H2,1-2H3/t24-,29-,34?/m0/s1
InChIKeyMUXGNOXQYCUFEH-MDOVHILFSA-N
MW467.55 g/mol
LogP7.70
Rot. Bonds7

About (4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine

(4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine (PubChem CID 134885420) has the molecular formula C30H30NO2P and a molecular weight of 467.55 g/mol. Its IUPAC name is (4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name(4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine
PubChem CID134885420
Molecular FormulaC30H30NO2P
Molecular Weight467.55 g/mol
Exact Mass467.20
IUPAC Name(4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine
SMILESCCOP1O[C@H](c2ccccc2)[C@H](C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30NO2P/c1-3-32-34-31(24(2)29(33-34)25-16-8-4-9-17-25)30(26-18-10-5-11-19-26,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24,29H,3H2,1-2H3/t24-,29-,34?/m0/s1
InChIKeyMUXGNOXQYCUFEH-MDOVHILFSA-N
XLogP7.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S,5R)-2-[(S)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10548714
(2R,4S,5R)-2-[(R)-fluoro-(3-phenylphenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10739452
(2R,4R,5S)-3-tert-butyl-2-[(1S)-1-fluoro-1-methyl-2-oxo-propyl]-4,5-diphenyl-[1,3,2]-oxazaphospholidine2-oxide
CID 139063840
(3S)-3-[(2R,4S,5R)-3-tert-butyl-2-oxo-4,5-diphenyl-1,3,2lambda5-oxazaphospholidin-2-yl]-3-fluorobutan-2-one
CID 168308383
3,4-Dimethyl-2-(3-methyl-1-phenylbuta-1,2-dienyl)-5-phenyl-1,3,2lambda5-oxazaphospholane 2-oxide
CID 15031760
(2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine
CID 134925492
(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol
CID 139038736
(2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine
CID 12966788
(2R,4S,5R)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine
CID 13309972
(4S,5R)-2-chloro-3-methyl-4,5-diphenyl-1,3,2-oxazaphospholidine
CID 12097598
3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine
CID 13309970
(2R,4R,5R)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine
CID 11101236

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine?
The IUPAC name of (4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine (CID 134885420) is (4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine.
What is the SMILES notation for (4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine?
The canonical SMILES for (4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine is CCOP1O[C@H](c2ccccc2)[C@H](C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine?
The InChIKey is MUXGNOXQYCUFEH-MDOVHILFSA-N. The full InChI is InChI=1S/C30H30NO2P/c1-3-32-34-31(24(2)29(33-34)25-16-8-4-9-17-25)30(26-18-10-5-11-19-26,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24,29H,3H2,1-2H3/t24-,29-,34?/m0/s1.
What are the key properties of (4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine?
(4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine has a molecular weight of 467.55 g/mol, XLogP of 7.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-ethoxy-4-methyl-5-phenyl-3-trityl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 134885420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).