(2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one

C27H39NO4Si — CID 134947980

IUPAC(2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C27H39NO4Si/c1-21(25(29)22(2)26(30)28-16-18-31-19-17-28)20-32-33(27(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,21-22,25,29H,16-20H2,1-5H3/t21-,22-,25+/m1/s1
InChIKeyFUHSYHLIFDLULP-RQTOMXEWSA-N
MW469.70 g/mol
LogP3.05
Rot. Bonds8

About (2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one

(2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one (PubChem CID 134947980) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is (2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name(2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one
PubChem CID134947980
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Name(2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C27H39NO4Si/c1-21(25(29)22(2)26(30)28-16-18-31-19-17-28)20-32-33(27(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,21-22,25,29H,16-20H2,1-5H3/t21-,22-,25+/m1/s1
InChIKeyFUHSYHLIFDLULP-RQTOMXEWSA-N
XLogP3.05
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of (2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one (CID 134947980) is (2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for (2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for (2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)[C@@H](C)C(=O)N1CCOCC1.
What is the InChIKey of (2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is FUHSYHLIFDLULP-RQTOMXEWSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-21(25(29)22(2)26(30)28-16-18-31-19-17-28)20-32-33(27(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,21-22,25,29H,16-20H2,1-5H3/t21-,22-,25+/m1/s1.
What are the key properties of (2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one?
(2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 469.70 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 134947980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).