1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione

C34H71NO7Si4 — CID 10509066

IUPAC1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C(=O)CCC2=O)[C@H](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/C34H71NO7Si4/c1-31(2,3)43(13,14)38-23-24-27(40-44(15,16)32(4,5)6)28(41-45(17,18)33(7,8)9)29(42-46(19,20)34(10,11)12)30(39-24)35-25(36)21-22-26(35)37/h24,27-30H,21-23H2,1-20H3/t24-,27-,28+,29-,30-/m1/s1
InChIKeyRMIALLICXRQNDG-YMIJDRNOSA-N
MW718.29 g/mol
LogP9.05
Rot. Bonds10

About 1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione

1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione (PubChem CID 10509066) has the molecular formula C34H71NO7Si4 and a molecular weight of 718.29 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione
PubChem CID10509066
Molecular FormulaC34H71NO7Si4
Molecular Weight718.29 g/mol
Exact Mass717.43
IUPAC Name1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C(=O)CCC2=O)[C@H](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/C34H71NO7Si4/c1-31(2,3)43(13,14)38-23-24-27(40-44(15,16)32(4,5)6)28(41-45(17,18)33(7,8)9)29(42-46(19,20)34(10,11)12)30(39-24)35-25(36)21-22-26(35)37/h24,27-30H,21-23H2,1-20H3/t24-,27-,28+,29-,30-/m1/s1
InChIKeyRMIALLICXRQNDG-YMIJDRNOSA-N
XLogP9.05
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.29
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione (CID 10509066) is 1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C(=O)CCC2=O)[C@H](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 1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione?
The InChIKey is RMIALLICXRQNDG-YMIJDRNOSA-N. The full InChI is InChI=1S/C34H71NO7Si4/c1-31(2,3)43(13,14)38-23-24-27(40-44(15,16)32(4,5)6)28(41-45(17,18)33(7,8)9)29(42-46(19,20)34(10,11)12)30(39-24)35-25(36)21-22-26(35)37/h24,27-30H,21-23H2,1-20H3/t24-,27-,28+,29-,30-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione?
1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione has a molecular weight of 718.29 g/mol, XLogP of 9.05, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10509066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).