[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate

C16H17N3O6 — CID 154159374

IUPAC[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO
InChIInChI=1S/C16H17N3O6/c20-9-12-11(25-16(23)17-10-4-2-1-3-5-10)8-14(24-12)19-7-6-13(21)18-15(19)22/h1-7,11-12,14,20H,8-9H2,(H,17,23)(H,18,21,22)/t11-,12+,14+/m0/s1
InChIKeyLSMZMXHMFKNQRV-OUCADQQQSA-N
MW347.33 g/mol
LogP0.43
Rot. Bonds4

About [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate

[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate (PubChem CID 154159374) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate
PubChem CID154159374
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO
InChIInChI=1S/C16H17N3O6/c20-9-12-11(25-16(23)17-10-4-2-1-3-5-10)8-14(24-12)19-7-6-13(21)18-15(19)22/h1-7,11-12,14,20H,8-9H2,(H,17,23)(H,18,21,22)/t11-,12+,14+/m0/s1
InChIKeyLSMZMXHMFKNQRV-OUCADQQQSA-N
XLogP0.43
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate with MolForge

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Related Compounds

[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] ethenyl carbonate
CID 15160541
[(3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 174149552
[(2R,3R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 14412037
1-[(2R,4S,5R)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10019787
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11962031
[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate
CID 134930197
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 169068441
1-[(2R,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67928982
1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21120134
(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-3-carbaldehyde
CID 3011752

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate?
The IUPAC name of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate (CID 154159374) is [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate.
What is the SMILES notation for [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate?
The canonical SMILES for [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO.
What is the InChIKey of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate?
The InChIKey is LSMZMXHMFKNQRV-OUCADQQQSA-N. The full InChI is InChI=1S/C16H17N3O6/c20-9-12-11(25-16(23)17-10-4-2-1-3-5-10)8-14(24-12)19-7-6-13(21)18-15(19)22/h1-7,11-12,14,20H,8-9H2,(H,17,23)(H,18,21,22)/t11-,12+,14+/m0/s1.
What are the key properties of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate?
[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate has a molecular weight of 347.33 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] N-phenylcarbamate is sourced from PubChem (CID 154159374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).