(2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol

C25H50O10Si — CID 11272660

IUPAC(2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol
SMILESCOCOCC[C@@H](C)[C@@H](OCOC)[C@H](OCOCC[Si](C)(C)C)[C@@H]1C[C@@H](O)[C@@H]([C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C25H50O10Si/c1-18(9-10-29-15-27-4)22(31-16-28-5)24(32-17-30-11-12-36(6,7)8)20-13-19(26)23(34-20)21-14-33-25(2,3)35-21/h18-24,26H,9-17H2,1-8H3/t18-,19-,20+,21+,22-,23+,24-/m1/s1
InChIKeyBEDHLJIOPDEZKM-GCNVISTFSA-N
MW538.75 g/mol
LogP2.99
Rot. Bonds18

About (2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol

(2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol (PubChem CID 11272660) has the molecular formula C25H50O10Si and a molecular weight of 538.75 g/mol. Its IUPAC name is (2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol
PubChem CID11272660
Molecular FormulaC25H50O10Si
Molecular Weight538.75 g/mol
Exact Mass538.32
IUPAC Name(2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol
SMILESCOCOCC[C@@H](C)[C@@H](OCOC)[C@H](OCOCC[Si](C)(C)C)[C@@H]1C[C@@H](O)[C@@H]([C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C25H50O10Si/c1-18(9-10-29-15-27-4)22(31-16-28-5)24(32-17-30-11-12-36(6,7)8)20-13-19(26)23(34-20)21-14-33-25(2,3)35-21/h18-24,26H,9-17H2,1-8H3/t18-,19-,20+,21+,22-,23+,24-/m1/s1
InChIKeyBEDHLJIOPDEZKM-GCNVISTFSA-N
XLogP2.99
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol
CID 10961103
(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 11215127
(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-4-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]butan-2-ol
CID 11272976
(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol
CID 11450963
(2R)-2-[(4R,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]propan-1-ol
CID 14704730
[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol
CID 15981859
(1R,2S,3R,4R)-4-[(4R,5S,6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 53473906
(1S,2S,3S,4R)-4-[(4R,5S,6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 53473909
(2R,3S,4S,5R)-2-[(1S)-1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-1,2-dihydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 90724219
(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol
CID 100999902
(2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol
CID 102382466
[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(2-trimethylsilylethoxymethoxymethyl)-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 134864606

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol?
The IUPAC name of (2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol (CID 11272660) is (2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol.
What is the SMILES notation for (2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol?
The canonical SMILES for (2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol is COCOCC[C@@H](C)[C@@H](OCOC)[C@H](OCOCC[Si](C)(C)C)[C@@H]1C[C@@H](O)[C@@H]([C@@H]2COC(C)(C)O2)O1.
What is the InChIKey of (2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol?
The InChIKey is BEDHLJIOPDEZKM-GCNVISTFSA-N. The full InChI is InChI=1S/C25H50O10Si/c1-18(9-10-29-15-27-4)22(31-16-28-5)24(32-17-30-11-12-36(6,7)8)20-13-19(26)23(34-20)21-14-33-25(2,3)35-21/h18-24,26H,9-17H2,1-8H3/t18-,19-,20+,21+,22-,23+,24-/m1/s1.
What are the key properties of (2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol?
(2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol has a molecular weight of 538.75 g/mol, XLogP of 2.99, 18 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-5-[(1R,2R,3R)-2,5-bis(methoxymethoxy)-3-methyl-1-(2-trimethylsilylethoxymethoxy)pentyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-ol is sourced from PubChem (CID 11272660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).