5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C37H33FN2O5 — CID 54362778

IUPAC5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](OCC=Cc3ccccc3)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1F
InChIInChI=1S/C37H33FN2O5/c38-31-25-40(36(42)39-35(31)41)34-24-32(43-23-13-16-27-14-5-1-6-15-27)33(45-34)26-44-37(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-22,25,32-34H,23-24,26H2,(H,39,41,42)/t32-,33+,34+/m0/s1
InChIKeyUNQWHVMXJMMRST-LBFZIJHGSA-N
MW604.68 g/mol
LogP6.07
Rot. Bonds11

About 5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 54362778) has the molecular formula C37H33FN2O5 and a molecular weight of 604.68 g/mol. Its IUPAC name is 5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID54362778
Molecular FormulaC37H33FN2O5
Molecular Weight604.68 g/mol
Exact Mass604.24
IUPAC Name5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](OCC=Cc3ccccc3)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1F
InChIInChI=1S/C37H33FN2O5/c38-31-25-40(36(42)39-35(31)41)34-24-32(43-23-13-16-27-14-5-1-6-15-27)33(45-34)26-44-37(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-22,25,32-34H,23-24,26H2,(H,39,41,42)/t32-,33+,34+/m0/s1
InChIKeyUNQWHVMXJMMRST-LBFZIJHGSA-N
XLogP6.07
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.68
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 46236787
5-fluoro-1-[(2R,4S,5R)-4-[(4-methoxyphenyl)methoxy]-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10722410
1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 172642391
1-[(2S,5S)-4-phenylmethoxy-5-(trityloxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 70420468
trimethyl-[2-[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl]oxyethyl]azanium iodide
CID 10009915
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
2-[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl]oxyisoindole-1,3-dione
CID 68836402
1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 14409067
1-[(2R,4S,5R)-4-hex-2-ynoxy-5-(trityloxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 139611778
5-ethyl-1-[(2S,5S)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57021254
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(methylsulfanylmethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14756973

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 54362778) is 5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2C[C@H](OCC=Cc3ccccc3)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1F.
What is the InChIKey of 5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is UNQWHVMXJMMRST-LBFZIJHGSA-N. The full InChI is InChI=1S/C37H33FN2O5/c38-31-25-40(36(42)39-35(31)41)34-24-32(43-23-13-16-27-14-5-1-6-15-27)33(45-34)26-44-37(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-22,25,32-34H,23-24,26H2,(H,39,41,42)/t32-,33+,34+/m0/s1.
What are the key properties of 5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 604.68 g/mol, XLogP of 6.07, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 54362778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).