1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione

C15H19FN2O8 — CID 70360605

IUPAC1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCO[C@@H]1OC[C@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@]1(F)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H19FN2O8/c1-7-5-18(12(22)17-10(7)21)15(16)11(25-4)26-6-13(23,8(2)19)14(15,24)9(3)20/h5,11,23-24H,6H2,1-4H3,(H,17,21,22)/t11-,13+,14+,15-/m1/s1
InChIKeyHIFWKNMSNBMFAO-UQOMUDLDSA-N
MW374.32 g/mol
LogP-1.89
Rot. Bonds4

About 1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 70360605) has the molecular formula C15H19FN2O8 and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione
PubChem CID70360605
Molecular FormulaC15H19FN2O8
Molecular Weight374.32 g/mol
Exact Mass374.11
IUPAC Name1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCO[C@@H]1OC[C@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@]1(F)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H19FN2O8/c1-7-5-18(12(22)17-10(7)21)15(16)11(25-4)26-6-13(23,8(2)19)14(15,24)9(3)20/h5,11,23-24H,6H2,1-4H3,(H,17,21,22)/t11-,13+,14+,15-/m1/s1
InChIKeyHIFWKNMSNBMFAO-UQOMUDLDSA-N
XLogP-1.89
TPSA147.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione (CID 70360605) is 1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione is CO[C@@H]1OC[C@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@]1(F)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is HIFWKNMSNBMFAO-UQOMUDLDSA-N. The full InChI is InChI=1S/C15H19FN2O8/c1-7-5-18(12(22)17-10(7)21)15(16)11(25-4)26-6-13(23,8(2)19)14(15,24)9(3)20/h5,11,23-24H,6H2,1-4H3,(H,17,21,22)/t11-,13+,14+,15-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 374.32 g/mol, XLogP of -1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70360605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).