[(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane

C18H39IO3P2Si — CID 59891909

IUPAC[(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane
SMILESC[C@H]([C@H]1O[C@@H](P(C)P)OC[C@@H]1C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI
InChIInChI=1S/C18H39IO3P2Si/c1-12(10-19)16(22-25(8,9)18(4,5)6)14(3)15-13(2)11-20-17(21-15)24(7)23/h12-17H,10-11,23H2,1-9H3/t12-,13-,14+,15-,16+,17-,24?/m0/s1
InChIKeyABFMYNYHNSTEBX-SJVURCRISA-N
MW520.45 g/mol
LogP6.32
Rot. Bonds7

About [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane

[(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane (PubChem CID 59891909) has the molecular formula C18H39IO3P2Si and a molecular weight of 520.45 g/mol. Its IUPAC name is [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane.

Molecular Properties

Compound Name[(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane
PubChem CID59891909
Molecular FormulaC18H39IO3P2Si
Molecular Weight520.45 g/mol
Exact Mass520.12
IUPAC Name[(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane
SMILESC[C@H]([C@H]1O[C@@H](P(C)P)OC[C@@H]1C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI
InChIInChI=1S/C18H39IO3P2Si/c1-12(10-19)16(22-25(8,9)18(4,5)6)14(3)15-13(2)11-20-17(21-15)24(7)23/h12-17H,10-11,23H2,1-9H3/t12-,13-,14+,15-,16+,17-,24?/m0/s1
InChIKeyABFMYNYHNSTEBX-SJVURCRISA-N
XLogP6.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.45
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane with MolForge

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Related Compounds

tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 135017573
(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(4S,5S)-5-methyl-2-[methyl(phosphanyl)phosphanyl]-1,3-dioxan-4-yl]pentan-1-ol
CID 59891833
[(4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane
CID 59891939

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane?
The IUPAC name of [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane (CID 59891909) is [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane.
What is the SMILES notation for [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane?
The canonical SMILES for [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane is C[C@H]([C@H]1O[C@@H](P(C)P)OC[C@@H]1C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI.
What is the InChIKey of [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane?
The InChIKey is ABFMYNYHNSTEBX-SJVURCRISA-N. The full InChI is InChI=1S/C18H39IO3P2Si/c1-12(10-19)16(22-25(8,9)18(4,5)6)14(3)15-13(2)11-20-17(21-15)24(7)23/h12-17H,10-11,23H2,1-9H3/t12-,13-,14+,15-,16+,17-,24?/m0/s1.
What are the key properties of [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane?
[(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane has a molecular weight of 520.45 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane is sourced from PubChem (CID 59891909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).