1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

C23H27N2O8P — CID 25180310

IUPAC1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cc2c(c(C(C)(C)C)c1)O[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2
InChIInChI=1S/C23H27N2O8P/c1-13-10-25(22(28)24-21(13)27)19-7-6-17(32-19)12-31-34(29)30-11-16-8-15(14(2)26)9-18(20(16)33-34)23(3,4)5/h6-10,17,19H,11-12H2,1-5H3,(H,24,27,28)/t17-,19+,34+/m0/s1
InChIKeySAHPAIPPJXJPLX-QVNBXFRASA-N
MW490.45 g/mol
LogP3.53
Rot. Bonds5

About 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 25180310) has the molecular formula C23H27N2O8P and a molecular weight of 490.45 g/mol. Its IUPAC name is 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID25180310
Molecular FormulaC23H27N2O8P
Molecular Weight490.45 g/mol
Exact Mass490.15
IUPAC Name1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cc2c(c(C(C)(C)C)c1)O[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2
InChIInChI=1S/C23H27N2O8P/c1-13-10-25(22(28)24-21(13)27)19-7-6-17(32-19)12-31-34(29)30-11-16-8-15(14(2)26)9-18(20(16)33-34)23(3,4)5/h6-10,17,19H,11-12H2,1-5H3,(H,24,27,28)/t17-,19+,34+/m0/s1
InChIKeySAHPAIPPJXJPLX-QVNBXFRASA-N
XLogP3.53
TPSA125.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[acetyloxy-[(2R)-8-tert-butyl-2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-6-yl]methyl] acetate
CID 25139872
[acetyloxy-[6-tert-butyl-2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-8-yl]methyl] acetate
CID 25139742
5-methyl-1-[5-[(6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 23277028
5-methyl-1-[(2R,5S)-5-[[(2R)-6-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 66561661
benzyl 3-[2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-8-yl]propanoate
CID 11318887
methyl 4-[2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-6-yl]butanoate
CID 24763171
1-[(2R,5S)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 101038638
1-[(2R,5S)-5-(hydroxy(113C)methyl)-(2,3,4,5-13C4)2,5-dihydrofuran-2-yl]-5-methyl(613C,1,3-15N2)pyrimidine-2,4-dione
CID 11042603
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 727961
tert-butyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
CID 101208050
1-[5-[(6,8-ditert-butyl-5-fluoro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 171528999
[(2S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
CID 169257154

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione (CID 25180310) is 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione is CC(=O)c1cc2c(c(C(C)(C)C)c1)O[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2.
What is the InChIKey of 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is SAHPAIPPJXJPLX-QVNBXFRASA-N. The full InChI is InChI=1S/C23H27N2O8P/c1-13-10-25(22(28)24-21(13)27)19-7-6-17(32-19)12-31-34(29)30-11-16-8-15(14(2)26)9-18(20(16)33-34)23(3,4)5/h6-10,17,19H,11-12H2,1-5H3,(H,24,27,28)/t17-,19+,34+/m0/s1.
What are the key properties of 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 490.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-[[(2R)-6-acetyl-8-tert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 25180310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).