[(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate

C26H37NO7Si — CID 42646421

IUPAC[(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](NC(=O)OCc1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](O)CO
InChIInChI=1S/C26H37NO7Si/c1-26(2,3)35(4,5)33-18-21(27-25(31)32-17-19-12-8-6-9-13-19)23(22(29)16-28)34-24(30)20-14-10-7-11-15-20/h6-15,21-23,28-29H,16-18H2,1-5H3,(H,27,31)/t21-,22-,23+/m1/s1
InChIKeyLFMMGUFWDCFKNR-ZLNRFVROSA-N
MW503.67 g/mol
LogP3.88
Rot. Bonds11

About [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate

[(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate (PubChem CID 42646421) has the molecular formula C26H37NO7Si and a molecular weight of 503.67 g/mol. Its IUPAC name is [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate.

Molecular Properties

Compound Name[(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate
PubChem CID42646421
Molecular FormulaC26H37NO7Si
Molecular Weight503.67 g/mol
Exact Mass503.23
IUPAC Name[(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](NC(=O)OCc1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](O)CO
InChIInChI=1S/C26H37NO7Si/c1-26(2,3)35(4,5)33-18-21(27-25(31)32-17-19-12-8-6-9-13-19)23(22(29)16-28)34-24(30)20-14-10-7-11-15-20/h6-15,21-23,28-29H,16-18H2,1-5H3,(H,27,31)/t21-,22-,23+/m1/s1
InChIKeyLFMMGUFWDCFKNR-ZLNRFVROSA-N
XLogP3.88
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-methoxy-6-oxo-2-(phenylmethoxycarbonylamino)hexan-3-yl] benzoate
CID 11238344
[(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxycarbonylamino)pent-1-en-3-yl] acetate
CID 10971559
benzyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-[(2S)-oxiran-2-yl]butan-2-yl]carbamate
CID 11338426
tert-butyl (E,4R,5R)-4-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxycarbonylamino)hex-2-enoate
CID 10918211
benzyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]carbamate
CID 150347845
benzyl N-[(E,2S,3S,4R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-6-en-2-yl]carbamate
CID 134852258
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 66637054
methyl (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11271071
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923
benzyl N-[(3S)-3,4-dihydroxy-1-phenylsulfanylbutan-2-yl]carbamate
CID 58800085
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate?
The IUPAC name of [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate (CID 42646421) is [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate.
What is the SMILES notation for [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate?
The canonical SMILES for [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate is CC(C)(C)[Si](C)(C)OC[C@@H](NC(=O)OCc1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](O)CO.
What is the InChIKey of [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate?
The InChIKey is LFMMGUFWDCFKNR-ZLNRFVROSA-N. The full InChI is InChI=1S/C26H37NO7Si/c1-26(2,3)35(4,5)33-18-21(27-25(31)32-17-19-12-8-6-9-13-19)23(22(29)16-28)34-24(30)20-14-10-7-11-15-20/h6-15,21-23,28-29H,16-18H2,1-5H3,(H,27,31)/t21-,22-,23+/m1/s1.
What are the key properties of [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate?
[(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate has a molecular weight of 503.67 g/mol, XLogP of 3.88, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate is sourced from PubChem (CID 42646421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).