dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C22H44O10SSn — CID 11814142

About dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 11814142) has the molecular formula C22H44O10SSn and a molecular weight of 619.36 g/mol. Its IUPAC name is dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 11814142
• Molecular Formula: C22H44O10SSn
• Molecular Weight: 619.36 g/mol
• Exact Mass: 620.17
• IUPAC Name: dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CCCC[Sn]CCCC.CCS[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C14H26O10S.2C4H9.Sn/c1-2-25-14-11(21)9(19)12(6(4-16)23-14)24-13-10(20)8(18)7(17)5(3-15)22-13;2*1-3-4-2;/h5-21H,2-4H2,1H3;2*1,3-4H2,2H3;/t5-,6-,7+,8+,9-,10-,11-,12-,13+,14+;;;/m1.../s1
• InChIKey: GMRPZGBDFUPTRY-MDOHVIBRSA-N
• XLogP: -0.51
• TPSA: 169.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	619.36
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 11814142) is dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CCCC[Sn]CCCC.CCS[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.

What is the InChIKey of dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is GMRPZGBDFUPTRY-MDOHVIBRSA-N. The full InChI is InChI=1S/C14H26O10S.2C4H9.Sn/c1-2-25-14-11(21)9(19)12(6(4-16)23-14)24-13-10(20)8(18)7(17)5(3-15)22-13;2*1-3-4-2;/h5-21H,2-4H2,1H3;2*1,3-4H2,2H3;/t5-,6-,7+,8+,9-,10-,11-,12-,13+,14+;;;/m1.../s1.

What are the key properties of dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 619.36 g/mol, XLogP of -0.51, 12 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 11814142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).