1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione

C21H38N2O4Sn — CID 11071143

IUPAC1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O
InChIInChI=1S/C9H11N2O4.3C4H9.Sn/c1-5-6(12)4-8(15-5)11-3-2-7(13)10-9(11)14;3*1-3-4-2;/h2-3,5-6,8,12H,1,4H2,(H,10,13,14);3*1,3-4H2,2H3;/t5-,6+,8-;;;;/m1..../s1
InChIKeyOQDVLAIPHDLGKJ-DGSMTPMJSA-N
MW501.26 g/mol
LogP4.03
Rot. Bonds12

About 1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 11071143) has the molecular formula C21H38N2O4Sn and a molecular weight of 501.26 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID11071143
Molecular FormulaC21H38N2O4Sn
Molecular Weight501.26 g/mol
Exact Mass502.19
IUPAC Name1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O
InChIInChI=1S/C9H11N2O4.3C4H9.Sn/c1-5-6(12)4-8(15-5)11-3-2-7(13)10-9(11)14;3*1-3-4-2;/h2-3,5-6,8,12H,1,4H2,(H,10,13,14);3*1,3-4H2,2H3;/t5-,6+,8-;;;;/m1..../s1
InChIKeyOQDVLAIPHDLGKJ-DGSMTPMJSA-N
XLogP4.03
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.26
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(2R,4S,5R)-5-(ethoxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 22837617
N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]formamide
CID 14842983
1-[(2R,4S,5R)-4-hydroxy-5-(sulfanyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 18396706
[(2R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methylphosphonic acid
CID 123287690
[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methaneseleninic acid
CID 102520130
diiminoazanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174696947
N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 15956670
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
CID 58159388
1-[(2R,4S,5R)-5-(3-aminopropoxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 20700893

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 11071143) is 1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione is CCCC[Sn](CCCC)(CCCC)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O.
What is the InChIKey of 1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is OQDVLAIPHDLGKJ-DGSMTPMJSA-N. The full InChI is InChI=1S/C9H11N2O4.3C4H9.Sn/c1-5-6(12)4-8(15-5)11-3-2-7(13)10-9(11)14;3*1-3-4-2;/h2-3,5-6,8,12H,1,4H2,(H,10,13,14);3*1,3-4H2,2H3;/t5-,6+,8-;;;;/m1..../s1.
What are the key properties of 1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 501.26 g/mol, XLogP of 4.03, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 11071143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).