(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol

C23H52O5Si3 — CID 59795773

IUPAC(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H52O5Si3/c1-21(2,3)29(10,11)25-16-17-18(27-30(12,13)22(4,5)6)19(20(24)26-17)28-31(14,15)23(7,8)9/h17-20,24H,16H2,1-15H3/t17-,18-,19-,20?/m0/s1
InChIKeyOMCOCXBXFNGZGQ-TWQWKPIESA-N
MW492.92 g/mol
LogP6.51
Rot. Bonds7

About (3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol

(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol (PubChem CID 59795773) has the molecular formula C23H52O5Si3 and a molecular weight of 492.92 g/mol. Its IUPAC name is (3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol.

Molecular Properties

Compound Name(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol
PubChem CID59795773
Molecular FormulaC23H52O5Si3
Molecular Weight492.92 g/mol
Exact Mass492.31
IUPAC Name(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H52O5Si3/c1-21(2,3)29(10,11)25-16-17-18(27-30(12,13)22(4,5)6)19(20(24)26-17)28-31(14,15)23(7,8)9/h17-20,24H,16H2,1-15H3/t17-,18-,19-,20?/m0/s1
InChIKeyOMCOCXBXFNGZGQ-TWQWKPIESA-N
XLogP6.51
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.92
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol?
The IUPAC name of (3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol (CID 59795773) is (3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol.
What is the SMILES notation for (3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol?
The canonical SMILES for (3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[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 (3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol?
The InChIKey is OMCOCXBXFNGZGQ-TWQWKPIESA-N. The full InChI is InChI=1S/C23H52O5Si3/c1-21(2,3)29(10,11)25-16-17-18(27-30(12,13)22(4,5)6)19(20(24)26-17)28-31(14,15)23(7,8)9/h17-20,24H,16H2,1-15H3/t17-,18-,19-,20?/m0/s1.
What are the key properties of (3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol?
(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol has a molecular weight of 492.92 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-ol is sourced from PubChem (CID 59795773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).