(2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one

C27H26O5 — CID 154508733

IUPAC(2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
SMILESO=C1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)C=C1OCc1ccccc1
InChIInChI=1S/C27H26O5/c28-27-25(31-19-23-14-8-3-9-15-23)16-24(30-18-22-12-6-2-7-13-22)26(32-27)20-29-17-21-10-4-1-5-11-21/h1-16,24,26H,17-20H2/t24-,26-/m1/s1
InChIKeyQPAQKOOYCGTMIE-AOYPEHQESA-N
MW430.50 g/mol
LogP4.81
Rot. Bonds10

About (2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one

(2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one (PubChem CID 154508733) has the molecular formula C27H26O5 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
PubChem CID154508733
Molecular FormulaC27H26O5
Molecular Weight430.50 g/mol
Exact Mass430.18
IUPAC Name(2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
SMILESO=C1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)C=C1OCc1ccccc1
InChIInChI=1S/C27H26O5/c28-27-25(31-19-23-14-8-3-9-15-23)16-24(30-18-22-12-6-2-7-13-22)26(32-27)20-29-17-21-10-4-1-5-11-21/h1-16,24,26H,17-20H2/t24-,26-/m1/s1
InChIKeyQPAQKOOYCGTMIE-AOYPEHQESA-N
XLogP4.81
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-carbonitrile
CID 132555832
3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 142842432
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 58859609
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(2R,3S,4R)-6-phenyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 10074401
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 77175213
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one (CID 154508733) is (2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one is O=C1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)C=C1OCc1ccccc1.
What is the InChIKey of (2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one?
The InChIKey is QPAQKOOYCGTMIE-AOYPEHQESA-N. The full InChI is InChI=1S/C27H26O5/c28-27-25(31-19-23-14-8-3-9-15-23)16-24(30-18-22-12-6-2-7-13-22)26(32-27)20-29-17-21-10-4-1-5-11-21/h1-16,24,26H,17-20H2/t24-,26-/m1/s1.
What are the key properties of (2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one?
(2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one has a molecular weight of 430.50 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 154508733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).