[(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane

C32H56O8Si — CID 11180919

IUPAC[(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane
SMILESC=C[C@H](OCOC)[C@H](C[C@@H]1C[C@H](OC)[C@H](O[Si](CC)(CC)CC)[C@](OC)(C(C)(C)COCc2ccccc2)O1)OC
InChIInChI=1S/C32H56O8Si/c1-11-27(38-24-33-7)28(34-8)20-26-21-29(35-9)30(40-41(12-2,13-3)14-4)32(36-10,39-26)31(5,6)23-37-22-25-18-16-15-17-19-25/h11,15-19,26-30H,1,12-14,20-24H2,2-10H3/t26-,27+,28+,29+,30+,32-/m1/s1
InChIKeyYFRHSFWHNWWOOD-OGPIIRECSA-N
MW596.88 g/mol
LogP6.35
Rot. Bonds20

About [(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane

[(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane (PubChem CID 11180919) has the molecular formula C32H56O8Si and a molecular weight of 596.88 g/mol. Its IUPAC name is [(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane
PubChem CID11180919
Molecular FormulaC32H56O8Si
Molecular Weight596.88 g/mol
Exact Mass596.37
IUPAC Name[(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane
SMILESC=C[C@H](OCOC)[C@H](C[C@@H]1C[C@H](OC)[C@H](O[Si](CC)(CC)CC)[C@](OC)(C(C)(C)COCc2ccccc2)O1)OC
InChIInChI=1S/C32H56O8Si/c1-11-27(38-24-33-7)28(34-8)20-26-21-29(35-9)30(40-41(12-2,13-3)14-4)32(36-10,39-26)31(5,6)23-37-22-25-18-16-15-17-19-25/h11,15-19,26-30H,1,12-14,20-24H2,2-10H3/t26-,27+,28+,29+,30+,32-/m1/s1
InChIKeyYFRHSFWHNWWOOD-OGPIIRECSA-N
XLogP6.35
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.88
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,6R,11R)-3,11-dimethyl-2-(phenylmethoxymethoxymethyl)-1,7-dioxaspiro[5.5]undecane
CID 44303209
(2R,3R,4S,5R,6S)-4-heptoxy-3-methoxy-2-(2-methylpropyl)-5,6-bis(phenylmethoxy)oxane
CID 44385659
(2R,3S,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-6-(2,2-dimethyl-1-phenylpropoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71719680
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,2S)-1-acetyloxy-1-phenylpropan-2-yl]oxyoxan-2-yl]methyl acetate
CID 163044451
(6-Allyloxy-3,4,5-tribenzyloxy-tetrahydropyran-2-yl)methoxy-tert-butyl-dimethyl-silane
CID 361712
Trimethylsilyl-2,3,4,6-tetra-O-benzyl-b-D-glucopyranoside
CID 12897502
2H-Pyran-2-ol, 6-(1,1-dimethylethyl)dimethylsilyloxymethyltetrahydro-3-methoxy-5-(phenylmethoxy)-2-(2-propenyl)-, 2R-(2alpha,3beta,5beta,6alpha)-
CID 90469872
4,6-O-Benzylidene-3-O-tert-butyldimethylsilyl-1-tributylstannylglucal
CID 131318
tert-butyl-[[(2R,3R,4S,5R)-3-fluoro-5-methoxy-4-phenylmethoxyoxolan-2-yl]methoxy]-dimethylsilane
CID 134934548
[(2S,4aS,7R,8S,8aS)-6-fluoro-7-methoxy-2-phenyl-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
CID 134936573
trimethyl-[2,2,2-trifluoro-1-[(2S,3R,4S,5S)-5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-1-phenylmethoxyethoxy]silane
CID 162411642
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-6-[(2S,3S)-3-phenyl-1,4-dioxaspiro[4.5]decan-2-yl]-2-[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185878

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane?
The IUPAC name of [(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane (CID 11180919) is [(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane.
What is the SMILES notation for [(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane?
The canonical SMILES for [(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane is C=C[C@H](OCOC)[C@H](C[C@@H]1C[C@H](OC)[C@H](O[Si](CC)(CC)CC)[C@](OC)(C(C)(C)COCc2ccccc2)O1)OC.
What is the InChIKey of [(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane?
The InChIKey is YFRHSFWHNWWOOD-OGPIIRECSA-N. The full InChI is InChI=1S/C32H56O8Si/c1-11-27(38-24-33-7)28(34-8)20-26-21-29(35-9)30(40-41(12-2,13-3)14-4)32(36-10,39-26)31(5,6)23-37-22-25-18-16-15-17-19-25/h11,15-19,26-30H,1,12-14,20-24H2,2-10H3/t26-,27+,28+,29+,30+,32-/m1/s1.
What are the key properties of [(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane?
[(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane has a molecular weight of 596.88 g/mol, XLogP of 6.35, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,6R)-2,4-dimethoxy-6-[(2S,3S)-2-methoxy-3-(methoxymethoxy)pent-4-enyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl]oxy-triethylsilane is sourced from PubChem (CID 11180919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).