triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium

C37H36O3P+ — CID 11828410

IUPACtriphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium
SMILESc1ccc(COC[C@H]2O[C@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C37H36O3P/c1-6-16-30(17-7-1)27-38-29-36-35(39-28-31-18-8-2-9-19-31)26-37(40-36)41(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,35-37H,26-29H2/q+1/t35-,36+,37+/m0/s1
InChIKeyKITMWFRXWGDPDO-HKIDPNTFSA-N
MW559.67 g/mol
LogP6.90
Rot. Bonds11

About triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium

triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium (PubChem CID 11828410) has the molecular formula C37H36O3P+ and a molecular weight of 559.67 g/mol. Its IUPAC name is triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium
PubChem CID11828410
Molecular FormulaC37H36O3P+
Molecular Weight559.67 g/mol
Exact Mass559.24
IUPAC Nametriphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium
SMILESc1ccc(COC[C@H]2O[C@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C37H36O3P/c1-6-16-30(17-7-1)27-38-29-36-35(39-28-31-18-8-2-9-19-31)26-37(40-36)41(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,35-37H,26-29H2/q+1/t35-,36+,37+/m0/s1
InChIKeyKITMWFRXWGDPDO-HKIDPNTFSA-N
XLogP6.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,5R)-5-ethynyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11484097
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 134841401
(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 15059956
(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 11382284
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl-triphenylphosphanium iodide
CID 11320340
(2R,3S,5R,7R,8S)-2-[(E)-but-2-enyl]-5-methyl-7-phenylmethoxy-8-(phenylmethoxymethyl)oxocan-3-ol
CID 134922663
3-phenyl-1-[4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]prop-2-yn-1-one
CID 135078072
(1S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptane
CID 15318553
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium?
The IUPAC name of triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium (CID 11828410) is triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium.
What is the SMILES notation for triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium?
The canonical SMILES for triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium is c1ccc(COC[C@H]2O[C@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium?
The InChIKey is KITMWFRXWGDPDO-HKIDPNTFSA-N. The full InChI is InChI=1S/C37H36O3P/c1-6-16-30(17-7-1)27-38-29-36-35(39-28-31-18-8-2-9-19-31)26-37(40-36)41(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,35-37H,26-29H2/q+1/t35-,36+,37+/m0/s1.
What are the key properties of triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium?
triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium has a molecular weight of 559.67 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium is sourced from PubChem (CID 11828410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).