1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C30H29FN2O5 — CID 134881290

IUPAC1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H29FN2O5/c1-19-13-15-23(16-14-19)30(21-9-5-3-6-10-21,22-11-7-4-8-12-22)37-18-24-26(34)25(31)28(38-24)33-17-20(2)27(35)32-29(33)36/h3-17,24-26,28,34H,18H2,1-2H3,(H,32,35,36)/t24-,25+,26-,28-/m1/s1
InChIKeyRSXPQPMBXPXSMK-IYOUEGCASA-N
MW516.57 g/mol
LogP3.76
Rot. Bonds7

About 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 134881290) has the molecular formula C30H29FN2O5 and a molecular weight of 516.57 g/mol. Its IUPAC name is 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID134881290
Molecular FormulaC30H29FN2O5
Molecular Weight516.57 g/mol
Exact Mass516.21
IUPAC Name1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H29FN2O5/c1-19-13-15-23(16-14-19)30(21-9-5-3-6-10-21,22-11-7-4-8-12-22)37-18-24-26(34)25(31)28(38-24)33-17-20(2)27(35)32-29(33)36/h3-17,24-26,28,34H,18H2,1-2H3,(H,32,35,36)/t24-,25+,26-,28-/m1/s1
InChIKeyRSXPQPMBXPXSMK-IYOUEGCASA-N
XLogP3.76
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[3-fluoro-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14752959
1-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14352037
[4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate
CID 14752962
5-bromo-1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[tris(4-methylphenyl)methoxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 100863547
1-[(2S,3S,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 96568104
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,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7072407
1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 25228406
1-[(2R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079
1-[(2S,4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166157772
[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 503020

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 134881290) is 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is RSXPQPMBXPXSMK-IYOUEGCASA-N. The full InChI is InChI=1S/C30H29FN2O5/c1-19-13-15-23(16-14-19)30(21-9-5-3-6-10-21,22-11-7-4-8-12-22)37-18-24-26(34)25(31)28(38-24)33-17-20(2)27(35)32-29(33)36/h3-17,24-26,28,34H,18H2,1-2H3,(H,32,35,36)/t24-,25+,26-,28-/m1/s1.
What are the key properties of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 516.57 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-[[(4-methylphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 134881290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).