[(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane

C18H30N2O6Sn — CID 173163408

IUPAC[(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane
SMILESCCCCO[C@@H]1[C@H](OCCCC)[C@@H](CO[SnH])O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H29N2O6.Sn.H/c1-4-6-8-24-14-13(11-21)26-17(15(14)25-9-7-5-2)20-10-12(3)16(22)19-18(20)23;;/h10,13-15,17H,4-9,11H2,1-3H3,(H,19,22,23);;/q-1;+1;/t13-,14-,15-,17-;;/m1../s1
InChIKeyLJIJCNKCOOOWLL-YKZNYDHQSA-N
MW489.16 g/mol
LogP0.95
Rot. Bonds11

About [(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane

[(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane (PubChem CID 173163408) has the molecular formula C18H30N2O6Sn and a molecular weight of 489.16 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane
PubChem CID173163408
Molecular FormulaC18H30N2O6Sn
Molecular Weight489.16 g/mol
Exact Mass490.11
IUPAC Name[(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane
SMILESCCCCO[C@@H]1[C@H](OCCCC)[C@@H](CO[SnH])O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H29N2O6.Sn.H/c1-4-6-8-24-14-13(11-21)26-17(15(14)25-9-7-5-2)20-10-12(3)16(22)19-18(20)23;;/h10,13-15,17H,4-9,11H2,1-3H3,(H,19,22,23);;/q-1;+1;/t13-,14-,15-,17-;;/m1../s1
InChIKeyLJIJCNKCOOOWLL-YKZNYDHQSA-N
XLogP0.95
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R,4R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 69253780
1-[(2R,3R,4R,5R)-5-[(1S)-1-deuterioethyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 88880674
1-[(2R,3R,5S)-5-(hydroxymethyl)-4-nitro-3-propoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 121487370
1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59957186
1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-hydroxypropoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169083489
[(2R,5R)-3,4-diacetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70861016
1-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 98008852
[(3S,5S,6R)-3,4,5-triacetyloxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate
CID 122597251
1-[(2R,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 88941491
[4-hydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] tetradecanoate
CID 22209726
1-[(1S,3R)-7-butoxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione
CID 89495451
(2R,3S,4S,5R)-3-iodo-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 146651607

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane?
The IUPAC name of [(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane (CID 173163408) is [(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane?
The canonical SMILES for [(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane is CCCCO[C@@H]1[C@H](OCCCC)[C@@H](CO[SnH])O[C@H]1n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of [(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane?
The InChIKey is LJIJCNKCOOOWLL-YKZNYDHQSA-N. The full InChI is InChI=1S/C18H29N2O6.Sn.H/c1-4-6-8-24-14-13(11-21)26-17(15(14)25-9-7-5-2)20-10-12(3)16(22)19-18(20)23;;/h10,13-15,17H,4-9,11H2,1-3H3,(H,19,22,23);;/q-1;+1;/t13-,14-,15-,17-;;/m1../s1.
What are the key properties of [(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane?
[(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane has a molecular weight of 489.16 g/mol, XLogP of 0.95, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4-dibutoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-λ2-stannane is sourced from PubChem (CID 173163408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).