(3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one

C24H52O6Si3 — CID 22804975

IUPAC(3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C24H52O6Si3/c1-22(2,3)31(10,11)27-16-17(29-32(12,13)23(4,5)6)19-18(25)20(21(26)28-19)30-33(14,15)24(7,8)9/h17-20,25H,16H2,1-15H3/t17-,18-,19+,20-/m0/s1
InChIKeyLUOUVGBKKHPBKQ-HAGHYFMRSA-N
MW520.93 g/mol
LogP6.08
Rot. Bonds8

About (3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one

(3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one (PubChem CID 22804975) has the molecular formula C24H52O6Si3 and a molecular weight of 520.93 g/mol. Its IUPAC name is (3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one
PubChem CID22804975
Molecular FormulaC24H52O6Si3
Molecular Weight520.93 g/mol
Exact Mass520.31
IUPAC Name(3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C24H52O6Si3/c1-22(2,3)31(10,11)27-16-17(29-32(12,13)23(4,5)6)19-18(25)20(21(26)28-19)30-33(14,15)24(7,8)9/h17-20,25H,16H2,1-15H3/t17-,18-,19+,20-/m0/s1
InChIKeyLUOUVGBKKHPBKQ-HAGHYFMRSA-N
XLogP6.08
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.93
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one?
The IUPAC name of (3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one (CID 22804975) is (3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one.
What is the SMILES notation for (3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one?
The canonical SMILES for (3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O.
What is the InChIKey of (3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one?
The InChIKey is LUOUVGBKKHPBKQ-HAGHYFMRSA-N. The full InChI is InChI=1S/C24H52O6Si3/c1-22(2,3)31(10,11)27-16-17(29-32(12,13)23(4,5)6)19-18(25)20(21(26)28-19)30-33(14,15)24(7,8)9/h17-20,25H,16H2,1-15H3/t17-,18-,19+,20-/m0/s1.
What are the key properties of (3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one?
(3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one has a molecular weight of 520.93 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one is sourced from PubChem (CID 22804975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).