1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione

C29H28N2O6 — CID 169068441

IUPAC1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOc1ccc(C(O[C@@H]2C[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O6/c1-35-23-14-12-22(13-15-23)29(20-8-4-2-5-9-20,21-10-6-3-7-11-21)37-24-18-27(36-25(24)19-32)31-17-16-26(33)30-28(31)34/h2-17,24-25,27,32H,18-19H2,1H3,(H,30,33,34)/t24-,25-,27-/m1/s1
InChIKeyMZGNWBHUVFKEPM-RGSZASNESA-N
MW500.55 g/mol
LogP3.20
Rot. Bonds8

About 1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 169068441) has the molecular formula C29H28N2O6 and a molecular weight of 500.55 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID169068441
Molecular FormulaC29H28N2O6
Molecular Weight500.55 g/mol
Exact Mass500.19
IUPAC Name1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOc1ccc(C(O[C@@H]2C[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O6/c1-35-23-14-12-22(13-15-23)29(20-8-4-2-5-9-20,21-10-6-3-7-11-21)37-24-18-27(36-25(24)19-32)31-17-16-26(33)30-28(31)34/h2-17,24-25,27,32H,18-19H2,1H3,(H,30,33,34)/t24-,25-,27-/m1/s1
InChIKeyMZGNWBHUVFKEPM-RGSZASNESA-N
XLogP3.20
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,4S,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 50989243
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one
CID 11803320
N-[1-[(2S,4R,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 56845776
1-[[(2S,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10554855
1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11556527
[(2S,3S,5R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylsulfanylmethyl-hydroxy-oxophosphanium
CID 132562377
1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(difluorophosphoryloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10031919
1-[5-[2-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 178060841
1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 124898084
1-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 51689230
[(3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 174149552
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-trityloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 73350616

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione (CID 169068441) is 1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione is COc1ccc(C(O[C@@H]2C[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is MZGNWBHUVFKEPM-RGSZASNESA-N. The full InChI is InChI=1S/C29H28N2O6/c1-35-23-14-12-22(13-15-23)29(20-8-4-2-5-9-20,21-10-6-3-7-11-21)37-24-18-27(36-25(24)19-32)31-17-16-26(33)30-28(31)34/h2-17,24-25,27,32H,18-19H2,1H3,(H,30,33,34)/t24-,25-,27-/m1/s1.
What are the key properties of 1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 500.55 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 169068441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).