(2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol

C25H56O6Si3 — CID 56956840

IUPAC(2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILESCO[C@H]1O[C@@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H56O6Si3/c1-23(2,3)32(11,12)29-18(17-26)19-20(30-33(13,14)24(4,5)6)21(22(27-10)28-19)31-34(15,16)25(7,8)9/h18-22,26H,17H2,1-16H3/t18-,19+,20+,21-,22+/m1/s1
InChIKeyVVTKHQYTUVHIKD-CTWRKMMKSA-N
MW536.98 g/mol
LogP6.52
Rot. Bonds9

About (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol

(2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol (PubChem CID 56956840) has the molecular formula C25H56O6Si3 and a molecular weight of 536.98 g/mol. Its IUPAC name is (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol.

Molecular Properties

Compound Name(2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
PubChem CID56956840
Molecular FormulaC25H56O6Si3
Molecular Weight536.98 g/mol
Exact Mass536.34
IUPAC Name(2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILESCO[C@H]1O[C@@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H56O6Si3/c1-23(2,3)32(11,12)29-18(17-26)19-20(30-33(13,14)24(4,5)6)21(22(27-10)28-19)31-34(15,16)25(7,8)9/h18-22,26H,17H2,1-16H3/t18-,19+,20+,21-,22+/m1/s1
InChIKeyVVTKHQYTUVHIKD-CTWRKMMKSA-N
XLogP6.52
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.98
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol with MolForge

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Related Compounds

[(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
CID 56958533
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate
CID 57338126
tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane
CID 11677769
(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol
CID 134971375
[2-[1,2-bis(trimethylsilyloxy)ethyl]-5-methoxy-4-trimethylsilyloxyoxolan-3-yl]oxy-trimethylsilane
CID 553466
[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
CID 11465404
[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 44518856
(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
CID 101200293
(3R,4S,5R)-3-[(2S,3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolan-2-one
CID 25259004
ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate
CID 10793095
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
(5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol
CID 100999058

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The IUPAC name of (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol (CID 56956840) is (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol.
What is the SMILES notation for (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The canonical SMILES for (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol is CO[C@H]1O[C@@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The InChIKey is VVTKHQYTUVHIKD-CTWRKMMKSA-N. The full InChI is InChI=1S/C25H56O6Si3/c1-23(2,3)32(11,12)29-18(17-26)19-20(30-33(13,14)24(4,5)6)21(22(27-10)28-19)31-34(15,16)25(7,8)9/h18-22,26H,17H2,1-16H3/t18-,19+,20+,21-,22+/m1/s1.
What are the key properties of (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
(2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol has a molecular weight of 536.98 g/mol, XLogP of 6.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol is sourced from PubChem (CID 56956840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).