(2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol

C27H42O6Si2 — CID 90797458

IUPAC(2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)C(O)[C@H]1O[C@H](OCC[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H42O6Si2/c1-27(2,3)35(19-13-9-7-10-14-19,20-15-11-8-12-16-20)25(31)24-22(29)21(28)23(30)26(33-24)32-17-18-34(4,5)6/h7-16,21-26,28-31H,17-18H2,1-6H3/t21-,22+,23+,24-,25?,26-/m0/s1
InChIKeyCKKUJFBZADRZGY-DSZKRCTOSA-N
MW518.80 g/mol
LogP2.11
Rot. Bonds8

About (2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol

(2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol (PubChem CID 90797458) has the molecular formula C27H42O6Si2 and a molecular weight of 518.80 g/mol. Its IUPAC name is (2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol
PubChem CID90797458
Molecular FormulaC27H42O6Si2
Molecular Weight518.80 g/mol
Exact Mass518.25
IUPAC Name(2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)C(O)[C@H]1O[C@H](OCC[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H42O6Si2/c1-27(2,3)35(19-13-9-7-10-14-19,20-15-11-8-12-16-20)25(31)24-22(29)21(28)23(30)26(33-24)32-17-18-34(4,5)6/h7-16,21-26,28-31H,17-18H2,1-6H3/t21-,22+,23+,24-,25?,26-/m0/s1
InChIKeyCKKUJFBZADRZGY-DSZKRCTOSA-N
XLogP2.11
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.80
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6R,6aR)-6-(((tert-Butyldiphenylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 10550491
(3aS,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11954920
(2S,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974074
(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974075
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10408712
methyl 5-O-t-butyldiphenylsilyl-2-deoxy-d-erythro-pentofuranoside
CID 11047329
(2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol
CID 139255092
tert-butyl-[3-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-6-(oxan-2-yloxy)hex-4-ynoxy]propoxy]-diphenylsilane
CID 141765932
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
4-[Tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol
CID 57138515

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol (CID 90797458) is (2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)C(O)[C@H]1O[C@H](OCC[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol?
The InChIKey is CKKUJFBZADRZGY-DSZKRCTOSA-N. The full InChI is InChI=1S/C27H42O6Si2/c1-27(2,3)35(19-13-9-7-10-14-19,20-15-11-8-12-16-20)25(31)24-22(29)21(28)23(30)26(33-24)32-17-18-34(4,5)6/h7-16,21-26,28-31H,17-18H2,1-6H3/t21-,22+,23+,24-,25?,26-/m0/s1.
What are the key properties of (2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol?
(2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol has a molecular weight of 518.80 g/mol, XLogP of 2.11, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 90797458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).