(2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran

C29H32O4 — CID 11729971

IUPAC(2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran
SMILESCC(C)(OCc1ccccc1)[C@H]1OC=C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H32O4/c1-29(2,33-22-25-16-10-5-11-17-25)28-27(32-21-24-14-8-4-9-15-24)26(18-19-30-28)31-20-23-12-6-3-7-13-23/h3-19,26-28H,20-22H2,1-2H3/t26-,27+,28+/m1/s1
InChIKeyOEQUNPRBNATSLR-PKTNWEFCSA-N
MW444.57 g/mol
LogP6.07
Rot. Bonds10

About (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran

(2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran (PubChem CID 11729971) has the molecular formula C29H32O4 and a molecular weight of 444.57 g/mol. Its IUPAC name is (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran
PubChem CID11729971
Molecular FormulaC29H32O4
Molecular Weight444.57 g/mol
Exact Mass444.23
IUPAC Name(2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran
SMILESCC(C)(OCc1ccccc1)[C@H]1OC=C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H32O4/c1-29(2,33-22-25-16-10-5-11-17-25)28-27(32-21-24-14-8-4-9-15-24)26(18-19-30-28)31-20-23-12-6-3-7-13-23/h3-19,26-28H,20-22H2,1-2H3/t26-,27+,28+/m1/s1
InChIKeyOEQUNPRBNATSLR-PKTNWEFCSA-N
XLogP6.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

(2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran
CID 101413374
3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde
CID 167068650
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 11186428
(2R,3R,4R,5S)-2-(methoxymethyl)-3,4,5-tris(phenylmethoxy)-2,3,4,5-tetrahydrooxepine
CID 102415995
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
(2R,3R,4R)-2,3-dimethyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
CID 118517725
[(1R,4R,5S,6S)-4,5,6-tris(phenylmethoxy)cyclohex-2-en-1-yl] acetate
CID 11396973
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 10885348
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
CID 14605865
CID 101008861
CID 101008861
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran (CID 11729971) is (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran is CC(C)(OCc1ccccc1)[C@H]1OC=C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran?
The InChIKey is OEQUNPRBNATSLR-PKTNWEFCSA-N. The full InChI is InChI=1S/C29H32O4/c1-29(2,33-22-25-16-10-5-11-17-25)28-27(32-21-24-14-8-4-9-15-24)26(18-19-30-28)31-20-23-12-6-3-7-13-23/h3-19,26-28H,20-22H2,1-2H3/t26-,27+,28+/m1/s1.
What are the key properties of (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran?
(2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran has a molecular weight of 444.57 g/mol, XLogP of 6.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3,4-bis(phenylmethoxy)-2-(2-phenylmethoxypropan-2-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11729971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).