[(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate

C16H18N2O7 — CID 10760291

IUPAC[(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate
SMILESCC(=O)OC[C@H]1C[C@@H](n2cc(-c3ccco3)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H18N2O7/c1-8(19)25-7-9-5-11(14(21)13(9)20)18-6-10(12-3-2-4-24-12)15(22)17-16(18)23/h2-4,6,9,11,13-14,20-21H,5,7H2,1H3,(H,17,22,23)/t9-,11-,13-,14+/m1/s1
InChIKeyLBRAFYHVPWRBEI-IMJCEVDSSA-N
MW350.33 g/mol
LogP-0.36
Rot. Bonds4

About [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate

[(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate (PubChem CID 10760291) has the molecular formula C16H18N2O7 and a molecular weight of 350.33 g/mol. Its IUPAC name is [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate.

Molecular Properties

Compound Name[(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate
PubChem CID10760291
Molecular FormulaC16H18N2O7
Molecular Weight350.33 g/mol
Exact Mass350.11
IUPAC Name[(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate
SMILESCC(=O)OC[C@H]1C[C@@H](n2cc(-c3ccco3)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H18N2O7/c1-8(19)25-7-9-5-11(14(21)13(9)20)18-6-10(12-3-2-4-24-12)15(22)17-16(18)23/h2-4,6,9,11,13-14,20-21H,5,7H2,1H3,(H,17,22,23)/t9-,11-,13-,14+/m1/s1
InChIKeyLBRAFYHVPWRBEI-IMJCEVDSSA-N
XLogP-0.36
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate?
The IUPAC name of [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate (CID 10760291) is [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate.
What is the SMILES notation for [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate?
The canonical SMILES for [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate is CC(=O)OC[C@H]1C[C@@H](n2cc(-c3ccco3)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate?
The InChIKey is LBRAFYHVPWRBEI-IMJCEVDSSA-N. The full InChI is InChI=1S/C16H18N2O7/c1-8(19)25-7-9-5-11(14(21)13(9)20)18-6-10(12-3-2-4-24-12)15(22)17-16(18)23/h2-4,6,9,11,13-14,20-21H,5,7H2,1H3,(H,17,22,23)/t9-,11-,13-,14+/m1/s1.
What are the key properties of [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate?
[(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate has a molecular weight of 350.33 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4R)-4-[5-(furan-2-yl)-2,4-dioxopyrimidin-1-yl]-2,3-dihydroxycyclopentyl]methyl acetate is sourced from PubChem (CID 10760291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).