tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate

C26H35NO6Si — CID 70649492

IUPACtert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](O)[C@@H](O)[C@@H]1CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35NO6Si/c1-25(2,3)33-24(31)27-20(21(28)22(29)23(27)30)16-17-26(4,5)34(32,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-22,28-29,32H,16-17H2,1-5H3/t20-,21-,22-/m0/s1
InChIKeyHEVAYJOPEAKYQJ-FKBYEOEOSA-N
MW485.65 g/mol
LogP2.17
Rot. Bonds6

About tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 70649492) has the molecular formula C26H35NO6Si and a molecular weight of 485.65 g/mol. Its IUPAC name is tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID70649492
Molecular FormulaC26H35NO6Si
Molecular Weight485.65 g/mol
Exact Mass485.22
IUPAC Nametert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](O)[C@@H](O)[C@@H]1CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35NO6Si/c1-25(2,3)33-24(31)27-20(21(28)22(29)23(27)30)16-17-26(4,5)34(32,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-22,28-29,32H,16-17H2,1-5H3/t20-,21-,22-/m0/s1
InChIKeyHEVAYJOPEAKYQJ-FKBYEOEOSA-N
XLogP2.17
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 52.17
H-Bond Donors ≤ 53
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 tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate (CID 70649492) is tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@H](O)[C@@H](O)[C@@H]1CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is HEVAYJOPEAKYQJ-FKBYEOEOSA-N. The full InChI is InChI=1S/C26H35NO6Si/c1-25(2,3)33-24(31)27-20(21(28)22(29)23(27)30)16-17-26(4,5)34(32,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-22,28-29,32H,16-17H2,1-5H3/t20-,21-,22-/m0/s1.
What are the key properties of tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 485.65 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 70649492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).