(2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal

C28H58O5Si2 — CID 11038741

IUPAC(2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@H]([C@H](C)C=O)[C@H](C)[C@@]1(OC)C[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](C(C)C)O1
InChIInChI=1S/C28H58O5Si2/c1-13-34(14-2,15-3)32-25-19-28(30-12,31-26(21(7)8)23(25)10)24(11)27(22(9)20-29)33-35(16-4,17-5)18-6/h20-27H,13-19H2,1-12H3/t22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKeyIURMOVGPFGOSMG-GEMDHXORSA-N
MW530.94 g/mol
LogP7.66
Rot. Bonds16

About (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal

(2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal (PubChem CID 11038741) has the molecular formula C28H58O5Si2 and a molecular weight of 530.94 g/mol. Its IUPAC name is (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal.

Molecular Properties

Compound Name(2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal
PubChem CID11038741
Molecular FormulaC28H58O5Si2
Molecular Weight530.94 g/mol
Exact Mass530.38
IUPAC Name(2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@H]([C@H](C)C=O)[C@H](C)[C@@]1(OC)C[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](C(C)C)O1
InChIInChI=1S/C28H58O5Si2/c1-13-34(14-2,15-3)32-25-19-28(30-12,31-26(21(7)8)23(25)10)24(11)27(22(9)20-29)33-35(16-4,17-5)18-6/h20-27H,13-19H2,1-12H3/t22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKeyIURMOVGPFGOSMG-GEMDHXORSA-N
XLogP7.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.94
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 10950338
[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl] acetate
CID 11624354
ethyl (2S)-2-[(2S,4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propanoate
CID 11353518
methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate
CID 11362502
methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11395069
ethyl (2R)-2-[(2S,4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propanoate
CID 11753319
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal
CID 14061503
(2S)-2-[(4S,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanal
CID 21638349
methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate
CID 24879906
(2S,3R,4R,6R)-6-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-ethyl-3-(methoxymethoxy)-4-methylheptanal
CID 25052809
(2R,4R)-4-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentanal
CID 25053807
methyl (2R,3S,4S,5S)-7-acetyloxy-5-(methoxymethoxy)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyheptanoate
CID 42600665

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal?
The IUPAC name of (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal (CID 11038741) is (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal.
What is the SMILES notation for (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal?
The canonical SMILES for (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal is CC[Si](CC)(CC)O[C@H]([C@H](C)C=O)[C@H](C)[C@@]1(OC)C[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](C(C)C)O1.
What is the InChIKey of (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal?
The InChIKey is IURMOVGPFGOSMG-GEMDHXORSA-N. The full InChI is InChI=1S/C28H58O5Si2/c1-13-34(14-2,15-3)32-25-19-28(30-12,31-26(21(7)8)23(25)10)24(11)27(22(9)20-29)33-35(16-4,17-5)18-6/h20-27H,13-19H2,1-12H3/t22-,23+,24+,25-,26-,27-,28-/m1/s1.
What are the key properties of (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal?
(2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal has a molecular weight of 530.94 g/mol, XLogP of 7.66, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]-2-methyl-3-triethylsilyloxypentanal is sourced from PubChem (CID 11038741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).