[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane

C28H47O5PSi3 — CID 553402

IUPAC[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane
SMILESCOC1OC(CP(c2ccccc2)c2ccccc2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C28H47O5PSi3/c1-29-28-27(33-37(8,9)10)26(32-36(5,6)7)25(31-35(2,3)4)24(30-28)21-34(22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-20,24-28H,21H2,1-10H3
InChIKeyOPEBNVQKDGSEQO-UHFFFAOYSA-N
MW578.91 g/mol
LogP6.15
Rot. Bonds11

About [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane

[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane (PubChem CID 553402) has the molecular formula C28H47O5PSi3 and a molecular weight of 578.91 g/mol. Its IUPAC name is [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane
PubChem CID553402
Molecular FormulaC28H47O5PSi3
Molecular Weight578.91 g/mol
Exact Mass578.25
IUPAC Name[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane
SMILESCOC1OC(CP(c2ccccc2)c2ccccc2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C28H47O5PSi3/c1-29-28-27(33-37(8,9)10)26(32-36(5,6)7)25(31-35(2,3)4)24(30-28)21-34(22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-20,24-28H,21H2,1-10H3
InChIKeyOPEBNVQKDGSEQO-UHFFFAOYSA-N
XLogP6.15
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.91
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane
CID 10940274
[(1R,3R,5S,6R,8S,10S,11S,13S,15S,16S,18R,20R,21R,23R,25S,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40S,41S,42R,43S,44S,45R,46S,47R,48S,49R)-10-(diphenylphosphanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]methyl-diphenylphosphane
CID 135682951
[(4aR,6S,8aR)-6-methoxy-2-phenyl-7-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-trimethylsilane
CID 174009869
[(2R,3R,4S,5R,6S)-2-(methoxymethyl)-3,5,6-tris(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 22294600
trimethyl-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 11038830
trimethyl-[[(3S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 6427996
trimethyl-[[(2R,3R,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 22211662
(2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol
CID 101017151
[(2S,3R,4R,5R)-5-[(1R)-2-azido-1-phenylmethoxyethyl]-2-methoxy-4-phenylmethoxyoxolan-3-yl]oxy-trimethylsilane
CID 71482339
[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
CID 10507797
[(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol
CID 135021954
trimethyl-[(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 91747556

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane?
The IUPAC name of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane (CID 553402) is [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane is COC1OC(CP(c2ccccc2)c2ccccc2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane?
The InChIKey is OPEBNVQKDGSEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47O5PSi3/c1-29-28-27(33-37(8,9)10)26(32-36(5,6)7)25(31-35(2,3)4)24(30-28)21-34(22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-20,24-28H,21H2,1-10H3.
What are the key properties of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane?
[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane has a molecular weight of 578.91 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 553402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).