methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate

C17H27NO6Si — CID 10248537

IUPACmethyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate
SMILESCOC(=O)N[C@H](C(=O)OC)[C@@H]([C@H](O)[C@@H](C)O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H27NO6Si/c1-11(19)14(20)15(13(16(21)23-2)18-17(22)24-3)25(4,5)12-9-7-6-8-10-12/h6-11,13-15,19-20H,1-5H3,(H,18,22)/t11-,13+,14-,15+/m1/s1
InChIKeyVSTNZWYVOXMEMQ-BEAPCOKYSA-N
MW369.49 g/mol
LogP0.61
Rot. Bonds7

About methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate

methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate (PubChem CID 10248537) has the molecular formula C17H27NO6Si and a molecular weight of 369.49 g/mol. Its IUPAC name is methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate
PubChem CID10248537
Molecular FormulaC17H27NO6Si
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Namemethyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate
SMILESCOC(=O)N[C@H](C(=O)OC)[C@@H]([C@H](O)[C@@H](C)O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H27NO6Si/c1-11(19)14(20)15(13(16(21)23-2)18-17(22)24-3)25(4,5)12-9-7-6-8-10-12/h6-11,13-15,19-20H,1-5H3,(H,18,22)/t11-,13+,14-,15+/m1/s1
InChIKeyVSTNZWYVOXMEMQ-BEAPCOKYSA-N
XLogP0.61
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate
CID 10382333
dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
CID 15414955
methyl (2S,3S)-3-[dimethyl(phenyl)silyl]-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]butanoate
CID 101269072
methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 10358596
dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate
CID 135776484
methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate
CID 10403035
methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate
CID 84581659
dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate
CID 10575797
dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate
CID 11793174
dimethyl (2S,3S)-2-benzylsulfanyl-3-(methoxycarbonylamino)butanedioate
CID 10688597
methyl (2R,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate
CID 14027268

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate?
The IUPAC name of methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate (CID 10248537) is methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate.
What is the SMILES notation for methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate?
The canonical SMILES for methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate is COC(=O)N[C@H](C(=O)OC)[C@@H]([C@H](O)[C@@H](C)O)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate?
The InChIKey is VSTNZWYVOXMEMQ-BEAPCOKYSA-N. The full InChI is InChI=1S/C17H27NO6Si/c1-11(19)14(20)15(13(16(21)23-2)18-17(22)24-3)25(4,5)12-9-7-6-8-10-12/h6-11,13-15,19-20H,1-5H3,(H,18,22)/t11-,13+,14-,15+/m1/s1.
What are the key properties of methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate?
methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate has a molecular weight of 369.49 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate is sourced from PubChem (CID 10248537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).