6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione

C25H42N2O5Si2 — CID 71614437

IUPAC6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2cc(N)cc3c2C(=O)NC3=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42N2O5Si2/c1-24(2,3)33(7,8)30-14-20-19(32-34(9,10)25(4,5)6)13-18(31-20)16-11-15(26)12-17-21(16)23(29)27-22(17)28/h11-12,18-20H,13-14,26H2,1-10H3,(H,27,28,29)/t18-,19+,20-/m1/s1
InChIKeyBFYUQTSYODKZAN-HSALFYBXSA-N
MW506.79 g/mol
LogP5.39
Rot. Bonds6

About 6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione

6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione (PubChem CID 71614437) has the molecular formula C25H42N2O5Si2 and a molecular weight of 506.79 g/mol. Its IUPAC name is 6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione
PubChem CID71614437
Molecular FormulaC25H42N2O5Si2
Molecular Weight506.79 g/mol
Exact Mass506.26
IUPAC Name6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2cc(N)cc3c2C(=O)NC3=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42N2O5Si2/c1-24(2,3)33(7,8)30-14-20-19(32-34(9,10)25(4,5)6)13-18(31-20)16-11-15(26)12-17-21(16)23(29)27-22(17)28/h11-12,18-20H,13-14,26H2,1-10H3,(H,27,28,29)/t18-,19+,20-/m1/s1
InChIKeyBFYUQTSYODKZAN-HSALFYBXSA-N
XLogP5.39
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.79
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione?
The IUPAC name of 6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione (CID 71614437) is 6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2cc(N)cc3c2C(=O)NC3=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione?
The InChIKey is BFYUQTSYODKZAN-HSALFYBXSA-N. The full InChI is InChI=1S/C25H42N2O5Si2/c1-24(2,3)33(7,8)30-14-20-19(32-34(9,10)25(4,5)6)13-18(31-20)16-11-15(26)12-17-21(16)23(29)27-22(17)28/h11-12,18-20H,13-14,26H2,1-10H3,(H,27,28,29)/t18-,19+,20-/m1/s1.
What are the key properties of 6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione?
6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione has a molecular weight of 506.79 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 71614437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).