(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane

C32H32O3 — CID 10994244

IUPAC(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
SMILESc1ccc(COC[C@@H]2[C@@H](COCc3ccccc3)[C@H](c3ccccc3)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C32H32O3/c1-5-13-25(14-6-1)21-33-23-29-30(24-34-22-26-15-7-2-8-16-26)32(28-19-11-4-12-20-28)35-31(29)27-17-9-3-10-18-27/h1-20,29-32H,21-24H2/t29-,30-,31-,32+/m1/s1
InChIKeyQLBMOCWTRJYPBF-ANLCFORVSA-N
MW464.61 g/mol
LogP7.17
Rot. Bonds10

About (2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane

(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane (PubChem CID 10994244) has the molecular formula C32H32O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
PubChem CID10994244
Molecular FormulaC32H32O3
Molecular Weight464.61 g/mol
Exact Mass464.24
IUPAC Name(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
SMILESc1ccc(COC[C@@H]2[C@@H](COCc3ccccc3)[C@H](c3ccccc3)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C32H32O3/c1-5-13-25(14-6-1)21-33-23-29-30(24-34-22-26-15-7-2-8-16-26)32(28-19-11-4-12-20-28)35-31(29)27-17-9-3-10-18-27/h1-20,29-32H,21-24H2/t29-,30-,31-,32+/m1/s1
InChIKeyQLBMOCWTRJYPBF-ANLCFORVSA-N
XLogP7.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 10811839
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
(1S,2R,4R,4aS,10bS)-2-phenyl-1,4-bis(phenylmethoxymethyl)-1,2,4,4a,6,10b-hexahydropyrano[3,4-c]isochromene
CID 132606757
(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane
CID 135762701
(2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine
CID 171557955
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(1R,2R,3S,4S,5R,6R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 137325219
(1S,2S,3S,5R)-3-methyl-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 58620345
2-phenyl-3-(3-phenylmethoxypropyl)oxirane
CID 13389573

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane?
The IUPAC name of (2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane (CID 10994244) is (2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane?
The canonical SMILES for (2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane is c1ccc(COC[C@@H]2[C@@H](COCc3ccccc3)[C@H](c3ccccc3)O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane?
The InChIKey is QLBMOCWTRJYPBF-ANLCFORVSA-N. The full InChI is InChI=1S/C32H32O3/c1-5-13-25(14-6-1)21-33-23-29-30(24-34-22-26-15-7-2-8-16-26)32(28-19-11-4-12-20-28)35-31(29)27-17-9-3-10-18-27/h1-20,29-32H,21-24H2/t29-,30-,31-,32+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane?
(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane has a molecular weight of 464.61 g/mol, XLogP of 7.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 10994244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).