(2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol

C24H34O5Si — CID 102091797

IUPAC(2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
SMILESCO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](C)[C@H]1O
InChIInChI=1S/C24H34O5Si/c1-17-21(25)20(29-23(27-5)22(17)26)16-28-30(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23,25-26H,16H2,1-5H3/t17-,20-,21-,22+,23+/m0/s1
InChIKeyXQNYIHWPDXMIQX-MKCQOVQRSA-N
MW430.62 g/mol
LogP2.29
Rot. Bonds6

About (2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol

(2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol (PubChem CID 102091797) has the molecular formula C24H34O5Si and a molecular weight of 430.62 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
PubChem CID102091797
Molecular FormulaC24H34O5Si
Molecular Weight430.62 g/mol
Exact Mass430.22
IUPAC Name(2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
SMILESCO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](C)[C@H]1O
InChIInChI=1S/C24H34O5Si/c1-17-21(25)20(29-23(27-5)22(17)26)16-28-30(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23,25-26H,16H2,1-5H3/t17-,20-,21-,22+,23+/m0/s1
InChIKeyXQNYIHWPDXMIQX-MKCQOVQRSA-N
XLogP2.29
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol
CID 357855
(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
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
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
(2R,3S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol
CID 57867357

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol?
The IUPAC name of (2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol (CID 102091797) is (2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol.
What is the SMILES notation for (2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol?
The canonical SMILES for (2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol is CO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](C)[C@H]1O.
What is the InChIKey of (2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol?
The InChIKey is XQNYIHWPDXMIQX-MKCQOVQRSA-N. The full InChI is InChI=1S/C24H34O5Si/c1-17-21(25)20(29-23(27-5)22(17)26)16-28-30(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23,25-26H,16H2,1-5H3/t17-,20-,21-,22+,23+/m0/s1.
What are the key properties of (2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol?
(2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol has a molecular weight of 430.62 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol is sourced from PubChem (CID 102091797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).