(2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal

C19H39O7PSi — CID 102280608

IUPAC(2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal
SMILESCCOP(=O)(OCC)C1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]([C@@H](C)C=O)O1
InChIInChI=1S/C19H39O7PSi/c1-10-23-27(22,24-11-2)19(21)12-16(26-28(8,9)18(5,6)7)15(4)17(25-19)14(3)13-20/h13-17,21H,10-12H2,1-9H3/t14-,15-,16+,17-,19?/m0/s1
InChIKeyJPJICXWKGGMYKW-OOHXRKOZSA-N
MW438.57 g/mol
LogP4.55
Rot. Bonds9

About (2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal

(2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal (PubChem CID 102280608) has the molecular formula C19H39O7PSi and a molecular weight of 438.57 g/mol. Its IUPAC name is (2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal
PubChem CID102280608
Molecular FormulaC19H39O7PSi
Molecular Weight438.57 g/mol
Exact Mass438.22
IUPAC Name(2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal
SMILESCCOP(=O)(OCC)C1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]([C@@H](C)C=O)O1
InChIInChI=1S/C19H39O7PSi/c1-10-23-27(22,24-11-2)19(21)12-16(26-28(8,9)18(5,6)7)15(4)17(25-19)14(3)13-20/h13-17,21H,10-12H2,1-9H3/t14-,15-,16+,17-,19?/m0/s1
InChIKeyJPJICXWKGGMYKW-OOHXRKOZSA-N
XLogP4.55
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal
CID 102024165
1-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethyloxan-2-yl]ethanone
CID 10924589
tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane
CID 99771569
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)cyclohexane-1,4-diol
CID 11761328
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
CID 58078375
CID 58078375
methyl (Z)-4-[(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-yl]but-2-enoate
CID 158026162
[(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol
CID 11595116
(4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol
CID 99772098
(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidine-2-carboxylic acid
CID 67282800
(1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 56946000
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal?
The IUPAC name of (2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal (CID 102280608) is (2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal.
What is the SMILES notation for (2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal?
The canonical SMILES for (2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal is CCOP(=O)(OCC)C1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]([C@@H](C)C=O)O1.
What is the InChIKey of (2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal?
The InChIKey is JPJICXWKGGMYKW-OOHXRKOZSA-N. The full InChI is InChI=1S/C19H39O7PSi/c1-10-23-27(22,24-11-2)19(21)12-16(26-28(8,9)18(5,6)7)15(4)17(25-19)14(3)13-20/h13-17,21H,10-12H2,1-9H3/t14-,15-,16+,17-,19?/m0/s1.
What are the key properties of (2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal?
(2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal has a molecular weight of 438.57 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal is sourced from PubChem (CID 102280608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).