[(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate

C32H31O5P — CID 102448049

IUPAC[(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate
SMILESC=C([C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31O5P/c1-26(38(34,29-18-10-4-11-19-29)30-20-12-5-13-21-30)32(36-23-28-16-8-3-9-17-28)31(37-25-33)24-35-22-27-14-6-2-7-15-27/h2-21,25,31-32H,1,22-24H2/t31-,32-/m1/s1
InChIKeyXEDCHXAPEPMIMW-ROJLCIKYSA-N
MW526.57 g/mol
LogP5.86
Rot. Bonds14

About [(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate

[(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate (PubChem CID 102448049) has the molecular formula C32H31O5P and a molecular weight of 526.57 g/mol. Its IUPAC name is [(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate.

Molecular Properties

Compound Name[(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate
PubChem CID102448049
Molecular FormulaC32H31O5P
Molecular Weight526.57 g/mol
Exact Mass526.19
IUPAC Name[(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate
SMILESC=C([C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31O5P/c1-26(38(34,29-18-10-4-11-19-29)30-20-12-5-13-21-30)32(36-23-28-16-8-3-9-17-28)31(37-25-33)24-35-22-27-14-6-2-7-15-27/h2-21,25,31-32H,1,22-24H2/t31-,32-/m1/s1
InChIKeyXEDCHXAPEPMIMW-ROJLCIKYSA-N
XLogP5.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.57
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate
CID 177394840
[(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate
CID 11071783
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
N-benzyl-N-[(2S,3S)-1,3,4-tris(phenylmethoxy)butan-2-yl]hydroxylamine
CID 12964018
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
2-bromo-1-phenyl-3,4-bis(phenylmethoxy)butan-1-one
CID 154115263
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
(2R,3S,4S,5R)-1,6-bis[(4-methylphenyl)methoxy]-2,5-bis(phenylmethoxy)hexane-3,4-diol
CID 3011280
2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis(phenylmethoxy)hexane-3,4-diol
CID 18358352

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate?
The IUPAC name of [(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate (CID 102448049) is [(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate.
What is the SMILES notation for [(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate?
The canonical SMILES for [(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate is C=C([C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate?
The InChIKey is XEDCHXAPEPMIMW-ROJLCIKYSA-N. The full InChI is InChI=1S/C32H31O5P/c1-26(38(34,29-18-10-4-11-19-29)30-20-12-5-13-21-30)32(36-23-28-16-8-3-9-17-28)31(37-25-33)24-35-22-27-14-6-2-7-15-27/h2-21,25,31-32H,1,22-24H2/t31-,32-/m1/s1.
What are the key properties of [(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate?
[(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate has a molecular weight of 526.57 g/mol, XLogP of 5.86, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate is sourced from PubChem (CID 102448049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).