(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

C18H40O4P2Si — CID 59891833

IUPAC(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
SMILESC[C@H]([C@H]1OC(P(C)P)OC[C@@H]1C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C18H40O4P2Si/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/h12-17,19H,10-11,23H2,1-9H3/t12-,13-,14+,15-,16+,17?,24?/m0/s1
InChIKeyXTBBVGKBNYBHRB-WSRKZXSUSA-N
MW410.55 g/mol
LogP4.88
Rot. Bonds7

About (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

(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 (PubChem CID 59891833) has the molecular formula C18H40O4P2Si and a molecular weight of 410.55 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID59891833
Molecular FormulaC18H40O4P2Si
Molecular Weight410.55 g/mol
Exact Mass410.22
IUPAC Name(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
SMILESC[C@H]([C@H]1OC(P(C)P)OC[C@@H]1C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C18H40O4P2Si/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/h12-17,19H,10-11,23H2,1-9H3/t12-,13-,14+,15-,16+,17?,24?/m0/s1
InChIKeyXTBBVGKBNYBHRB-WSRKZXSUSA-N
XLogP4.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H]([C@H]1OC(P(C)P)OC[C@@H]1C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO.
What is the InChIKey of (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?
The InChIKey is XTBBVGKBNYBHRB-WSRKZXSUSA-N. The full InChI is InChI=1S/C18H40O4P2Si/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/h12-17,19H,10-11,23H2,1-9H3/t12-,13-,14+,15-,16+,17?,24?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 410.55 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 59891833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).