1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione

C8H11N3O7 — CID 172749345

IUPAC1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(N2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O
InChIInChI=1S/C8H11N3O7/c12-2-4-5(14)7(16)11(18-4)10-1-3(13)6(15)9-8(10)17/h1,4-5,7,12-14,16H,2H2,(H,9,15,17)/t4-,5-,7-/m1/s1
InChIKeyKDTLDMKLWFTLRU-WYDQCIBASA-N
MW261.19 g/mol
LogP-3.83
Rot. Bonds2

About 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione

1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione (PubChem CID 172749345) has the molecular formula C8H11N3O7 and a molecular weight of 261.19 g/mol. Its IUPAC name is 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione
PubChem CID172749345
Molecular FormulaC8H11N3O7
Molecular Weight261.19 g/mol
Exact Mass261.06
IUPAC Name1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(N2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O
InChIInChI=1S/C8H11N3O7/c12-2-4-5(14)7(16)11(18-4)10-1-3(13)6(15)9-8(10)17/h1,4-5,7,12-14,16H,2H2,(H,9,15,17)/t4-,5-,7-/m1/s1
InChIKeyKDTLDMKLWFTLRU-WYDQCIBASA-N
XLogP-3.83
TPSA148.25 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 5-3.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

5-hydroxy-1-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 150913163
5-chloro-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14308790
1-[(2S,4S,5R)-2-but-1-ynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrimidine-2,4-dione
CID 170692702
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 3001487
5-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 7272022
1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 7059460
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylpyrimidine-2,4-dione
CID 57263964
1-[3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
CID 23353423
1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 46876101

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione (CID 172749345) is 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(N2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O.
What is the InChIKey of 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione?
The InChIKey is KDTLDMKLWFTLRU-WYDQCIBASA-N. The full InChI is InChI=1S/C8H11N3O7/c12-2-4-5(14)7(16)11(18-4)10-1-3(13)6(15)9-8(10)17/h1,4-5,7,12-14,16H,2H2,(H,9,15,17)/t4-,5-,7-/m1/s1.
What are the key properties of 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione?
1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione has a molecular weight of 261.19 g/mol, XLogP of -3.83, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1,2-oxazolidin-2-yl]-5-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 172749345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).