(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide

C24H35NO6Si — CID 10790196

IUPAC(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide
SMILESCON(C)C(=O)C[C@@H](O)[C@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35NO6Si/c1-24(2,3)32(18-12-8-6-9-13-18,19-14-10-7-11-15-19)31-17-21(27)23(29)20(26)16-22(28)25(4)30-5/h6-15,20-21,23,26-27,29H,16-17H2,1-5H3/t20-,21-,23+/m1/s1
InChIKeyYTJBTNVCKBTEGP-XPNTWCBSSA-N
MW461.63 g/mol
LogP1.06
Rot. Bonds10

About (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide

(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide (PubChem CID 10790196) has the molecular formula C24H35NO6Si and a molecular weight of 461.63 g/mol. Its IUPAC name is (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide.

Molecular Properties

Compound Name(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide
PubChem CID10790196
Molecular FormulaC24H35NO6Si
Molecular Weight461.63 g/mol
Exact Mass461.22
IUPAC Name(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide
SMILESCON(C)C(=O)C[C@@H](O)[C@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35NO6Si/c1-24(2,3)32(18-12-8-6-9-13-18,19-14-10-7-11-15-19)31-17-21(27)23(29)20(26)16-22(28)25(4)30-5/h6-15,20-21,23,26-27,29H,16-17H2,1-5H3/t20-,21-,23+/m1/s1
InChIKeyYTJBTNVCKBTEGP-XPNTWCBSSA-N
XLogP1.06
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide
CID 46837809
(3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide
CID 134958709
(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide
CID 10532549
(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide
CID 10763597
(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide
CID 10896388
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide
CID 11133483
(5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide
CID 12000393
(1R,6S)-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-N-methoxy-N-methylcyclohex-3-ene-1-carboxamide
CID 44235229
methyl (2S,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-7-[methoxy(methyl)amino]-7-oxoheptanoate
CID 46899658
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide
CID 50915354
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide
CID 60169923
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N-methylhexanamide
CID 60169924

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide?
The IUPAC name of (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide (CID 10790196) is (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide.
What is the SMILES notation for (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide?
The canonical SMILES for (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide is CON(C)C(=O)C[C@@H](O)[C@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide?
The InChIKey is YTJBTNVCKBTEGP-XPNTWCBSSA-N. The full InChI is InChI=1S/C24H35NO6Si/c1-24(2,3)32(18-12-8-6-9-13-18,19-14-10-7-11-15-19)31-17-21(27)23(29)20(26)16-22(28)25(4)30-5/h6-15,20-21,23,26-27,29H,16-17H2,1-5H3/t20-,21-,23+/m1/s1.
What are the key properties of (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide?
(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide has a molecular weight of 461.63 g/mol, XLogP of 1.06, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide is sourced from PubChem (CID 10790196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).