ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite

C12H19IN2O4 — CID 142985863

IUPACethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
SMILESCC.Cc1cn([C@@H]2CC[C@H](COI)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13IN2O4.C2H6/c1-6-4-13(10(15)12-9(6)14)8-3-2-7(17-8)5-16-11;1-2/h4,7-8H,2-3,5H2,1H3,(H,12,14,15);1-2H3/t7-,8+;/m1./s1
InChIKeyXQZRDLHEUVHWST-WLYNEOFISA-N
MW382.20 g/mol
LogP1.92
Rot. Bonds3

About ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite

ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite (PubChem CID 142985863) has the molecular formula C12H19IN2O4 and a molecular weight of 382.20 g/mol. Its IUPAC name is ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite.

Molecular Properties

Compound Nameethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
PubChem CID142985863
Molecular FormulaC12H19IN2O4
Molecular Weight382.20 g/mol
Exact Mass382.04
IUPAC Nameethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
SMILESCC.Cc1cn([C@@H]2CC[C@H](COI)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13IN2O4.C2H6/c1-6-4-13(10(15)12-9(6)14)8-3-2-7(17-8)5-16-11;1-2/h4,7-8H,2-3,5H2,1H3,(H,12,14,15);1-2H3/t7-,8+;/m1./s1
InChIKeyXQZRDLHEUVHWST-WLYNEOFISA-N
XLogP1.92
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid
CID 166965850
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 4319719
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982
methyl-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 53436996
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[(2R,5S)-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 164835448
5-methyl-1-[(2R,5S)-5-(phenylsulfanyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 142887795
1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658

Frequently Asked Questions

What is the IUPAC name of ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite?
The IUPAC name of ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite (CID 142985863) is ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite.
What is the SMILES notation for ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite?
The canonical SMILES for ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite is CC.Cc1cn([C@@H]2CC[C@H](COI)O2)c(=O)[nH]c1=O.
What is the InChIKey of ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite?
The InChIKey is XQZRDLHEUVHWST-WLYNEOFISA-N. The full InChI is InChI=1S/C10H13IN2O4.C2H6/c1-6-4-13(10(15)12-9(6)14)8-3-2-7(17-8)5-16-11;1-2/h4,7-8H,2-3,5H2,1H3,(H,12,14,15);1-2H3/t7-,8+;/m1./s1.
What are the key properties of ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite?
ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite has a molecular weight of 382.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite is sourced from PubChem (CID 142985863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).