3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one

C31H28N2O5 — CID 90975307

IUPAC3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one
SMILESCc1cc2cn(C3CC(O)C(COC(c4ccccc4)(c4ccccc4)c4ccccc4)O3)c(=O)nc2o1
InChIInChI=1S/C31H28N2O5/c1-21-17-22-19-33(30(35)32-29(22)37-21)28-18-26(34)27(38-28)20-36-31(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-17,19,26-28,34H,18,20H2,1H3
InChIKeyPAKADIJIYXYKFC-UHFFFAOYSA-N
MW508.57 g/mol
LogP4.96
Rot. Bonds7

About 3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one

3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one (PubChem CID 90975307) has the molecular formula C31H28N2O5 and a molecular weight of 508.57 g/mol. Its IUPAC name is 3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one
PubChem CID90975307
Molecular FormulaC31H28N2O5
Molecular Weight508.57 g/mol
Exact Mass508.20
IUPAC Name3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one
SMILESCc1cc2cn(C3CC(O)C(COC(c4ccccc4)(c4ccccc4)c4ccccc4)O3)c(=O)nc2o1
InChIInChI=1S/C31H28N2O5/c1-21-17-22-19-33(30(35)32-29(22)37-21)28-18-26(34)27(38-28)20-36-31(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-17,19,26-28,34H,18,20H2,1H3
InChIKeyPAKADIJIYXYKFC-UHFFFAOYSA-N
XLogP4.96
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 51471204
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 11331209
4-acetyl-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidin-2-one
CID 155802504
4-amino-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-ethynylpyrimidin-2-one
CID 72736820
1-[(2R,4R,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11755083
1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 514178
1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-4-(tritylamino)pyrimidin-2-one
CID 101072596
4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 10841185
1-[(2R,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7072407
N'-[5-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
CID 138958110
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one
CID 102251372
1-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-3-naphthalen-2-ylurea
CID 163296358

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one?
The IUPAC name of 3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one (CID 90975307) is 3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one is Cc1cc2cn(C3CC(O)C(COC(c4ccccc4)(c4ccccc4)c4ccccc4)O3)c(=O)nc2o1.
What is the InChIKey of 3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one?
The InChIKey is PAKADIJIYXYKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O5/c1-21-17-22-19-33(30(35)32-29(22)37-21)28-18-26(34)27(38-28)20-36-31(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-17,19,26-28,34H,18,20H2,1H3.
What are the key properties of 3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one?
3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one has a molecular weight of 508.57 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 90975307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).