(4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol

C26H54O7Si2 — CID 11627979

IUPAC(4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol
SMILESCC[Si](CC)(CC)O[C@@]1(C)CC(O)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C26H54O7Si2/c1-13-35(14-2,15-3)33-26(9)17-21(27)29-19(5)24(26)31-22-16-20(28-10)23(18(4)30-22)32-34(11,12)25(6,7)8/h18-24,27H,13-17H2,1-12H3/t18-,19+,20-,21?,22+,23-,24+,26+/m1/s1
InChIKeyGXCIHDIKYORXKH-BLLXRHQWSA-N
MW534.88 g/mol
LogP5.82
Rot. Bonds10

About (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol

(4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol (PubChem CID 11627979) has the molecular formula C26H54O7Si2 and a molecular weight of 534.88 g/mol. Its IUPAC name is (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol.

Molecular Properties

Compound Name(4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol
PubChem CID11627979
Molecular FormulaC26H54O7Si2
Molecular Weight534.88 g/mol
Exact Mass534.34
IUPAC Name(4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol
SMILESCC[Si](CC)(CC)O[C@@]1(C)CC(O)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C26H54O7Si2/c1-13-35(14-2,15-3)33-26(9)17-21(27)29-19(5)24(26)31-22-16-20(28-10)23(18(4)30-22)32-34(11,12)25(6,7)8/h18-24,27H,13-17H2,1-12H3/t18-,19+,20-,21?,22+,23-,24+,26+/m1/s1
InChIKeyGXCIHDIKYORXKH-BLLXRHQWSA-N
XLogP5.82
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.88
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-(Trimethylsilyl)ethyl lactoside
CID 195169
alpha-D-Glucopyranoside, 1-O-methyl-2,3,4-tri-O-trimethylsilyl-
CID 11047886
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6R)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 11341648
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 11421312
(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
CID 134878312
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6S)-3-hydroxy-6-[hydroxy(trimethylsilyl)methyl]-4,5,6-tris(trimethylsilyl)-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 123511931
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 60090931
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 91865616
D-Turanose, heptakis(trimethylsilyl)-
CID 553904
[(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
CID 10962484
[(2S,3R,6S,8R,9S)-3-butyl-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
CID 11214911
methyl 2,6-di-O-t-butyldimethylsilyl-beta-d-glucopyranoside
CID 12121976

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol?
The IUPAC name of (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol (CID 11627979) is (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol.
What is the SMILES notation for (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol?
The canonical SMILES for (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol is CC[Si](CC)(CC)O[C@@]1(C)CC(O)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1.
What is the InChIKey of (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol?
The InChIKey is GXCIHDIKYORXKH-BLLXRHQWSA-N. The full InChI is InChI=1S/C26H54O7Si2/c1-13-35(14-2,15-3)33-26(9)17-21(27)29-19(5)24(26)31-22-16-20(28-10)23(18(4)30-22)32-34(11,12)25(6,7)8/h18-24,27H,13-17H2,1-12H3/t18-,19+,20-,21?,22+,23-,24+,26+/m1/s1.
What are the key properties of (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol?
(4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol has a molecular weight of 534.88 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol is sourced from PubChem (CID 11627979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).