1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione

C22H43NO6Si2 — CID 11340457

IUPAC1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione
SMILESC[C@@H]1O[C@H](N2C(=O)CCC2=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H43NO6Si2/c1-14-18(28-30(8,9)21(2,3)4)19(29-31(10,11)22(5,6)7)17(26)20(27-14)23-15(24)12-13-16(23)25/h14,17-20,26H,12-13H2,1-11H3/t14-,17-,18+,19-,20-/m0/s1
InChIKeyMVDGSBMLTAPADL-ZQOVORKSSA-N
MW473.76 g/mol
LogP4.02
Rot. Bonds5

About 1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione

1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione (PubChem CID 11340457) has the molecular formula C22H43NO6Si2 and a molecular weight of 473.76 g/mol. Its IUPAC name is 1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione
PubChem CID11340457
Molecular FormulaC22H43NO6Si2
Molecular Weight473.76 g/mol
Exact Mass473.26
IUPAC Name1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione
SMILESC[C@@H]1O[C@H](N2C(=O)CCC2=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H43NO6Si2/c1-14-18(28-30(8,9)21(2,3)4)19(29-31(10,11)22(5,6)7)17(26)20(27-14)23-15(24)12-13-16(23)25/h14,17-20,26H,12-13H2,1-11H3/t14-,17-,18+,19-,20-/m0/s1
InChIKeyMVDGSBMLTAPADL-ZQOVORKSSA-N
XLogP4.02
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.76
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione (CID 11340457) is 1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione is C[C@@H]1O[C@H](N2C(=O)CCC2=O)[C@@H](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 1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione?
The InChIKey is MVDGSBMLTAPADL-ZQOVORKSSA-N. The full InChI is InChI=1S/C22H43NO6Si2/c1-14-18(28-30(8,9)21(2,3)4)19(29-31(10,11)22(5,6)7)17(26)20(27-14)23-15(24)12-13-16(23)25/h14,17-20,26H,12-13H2,1-11H3/t14-,17-,18+,19-,20-/m0/s1.
What are the key properties of 1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione?
1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione has a molecular weight of 473.76 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-6-methyloxan-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11340457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).