1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C33H34N2O6 — CID 124581828

IUPAC1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]2O[C@H]2CCCCO2)c(=O)[nH]1
InChIInChI=1S/C33H34N2O6/c36-29-19-20-35(32(37)34-29)31-28(41-30-18-10-11-21-38-30)22-27(40-31)23-39-33(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,12-17,19-20,27-28,30-31H,10-11,18,21-23H2,(H,34,36,37)/t27-,28+,30-,31+/m0/s1
InChIKeyGSKCTTJZWPCGDZ-MAJIKDHASA-N
MW554.64 g/mol
LogP4.74
Rot. Bonds9

About 1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 124581828) has the molecular formula C33H34N2O6 and a molecular weight of 554.64 g/mol. Its IUPAC name is 1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID124581828
Molecular FormulaC33H34N2O6
Molecular Weight554.64 g/mol
Exact Mass554.24
IUPAC Name1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]2O[C@H]2CCCCO2)c(=O)[nH]1
InChIInChI=1S/C33H34N2O6/c36-29-19-20-35(32(37)34-29)31-28(41-30-18-10-11-21-38-30)22-27(40-31)23-39-33(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,12-17,19-20,27-28,30-31H,10-11,18,21-23H2,(H,34,36,37)/t27-,28+,30-,31+/m0/s1
InChIKeyGSKCTTJZWPCGDZ-MAJIKDHASA-N
XLogP4.74
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.64
LogP ≤ 54.74
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

1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(oxan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 11734856
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163284979
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 12718291
1-[4-(trityloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
CID 14161815
1-[(2S,5S)-4-fluoro-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21157548
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-pyrrolidin-1-yl-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate
CID 100941507
[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate
CID 99653129
1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 11091653
1-[(2R,3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]oxolan-2-yl]pyrimidine-2,4-dione
CID 101369933
1-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 57102324
1-[(2R,3S,4S,5R)-3-amino-4-(2-hydroxyethylsulfonyl)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10793298
[(2R,3S,5R)-5-[5-[[[2-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyacetyl]amino]methyl]-2,4-dioxopyrimidin-1-yl]-3-(oxan-2-yloxy)oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 101011858

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 124581828) is 1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]2O[C@H]2CCCCO2)c(=O)[nH]1.
What is the InChIKey of 1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is GSKCTTJZWPCGDZ-MAJIKDHASA-N. The full InChI is InChI=1S/C33H34N2O6/c36-29-19-20-35(32(37)34-29)31-28(41-30-18-10-11-21-38-30)22-27(40-31)23-39-33(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,12-17,19-20,27-28,30-31H,10-11,18,21-23H2,(H,34,36,37)/t27-,28+,30-,31+/m0/s1.
What are the key properties of 1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 554.64 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 124581828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).