benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

C20H33NO7Si — CID 135018811

IUPACbenzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C20H33NO7Si/c1-20(2,3)29(4,5)28-18-15(17(24)16(23)14(11-22)27-18)21-19(25)26-12-13-9-7-6-8-10-13/h6-10,14-18,22-24H,11-12H2,1-5H3,(H,21,25)/t14?,15?,16-,17?,18+/m1/s1
InChIKeyYJWIXZVOGMRUQY-CHKQFIRCSA-N
MW427.57 g/mol
LogP1.74
Rot. Bonds6

About benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate (PubChem CID 135018811) has the molecular formula C20H33NO7Si and a molecular weight of 427.57 g/mol. Its IUPAC name is benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
PubChem CID135018811
Molecular FormulaC20H33NO7Si
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC Namebenzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C20H33NO7Si/c1-20(2,3)29(4,5)28-18-15(17(24)16(23)14(11-22)27-18)21-19(25)26-12-13-9-7-6-8-10-13/h6-10,14-18,22-24H,11-12H2,1-5H3,(H,21,25)/t14?,15?,16-,17?,18+/m1/s1
InChIKeyYJWIXZVOGMRUQY-CHKQFIRCSA-N
XLogP1.74
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
The IUPAC name of benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate (CID 135018811) is benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate is CC(C)(C)[Si](C)(C)O[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
The InChIKey is YJWIXZVOGMRUQY-CHKQFIRCSA-N. The full InChI is InChI=1S/C20H33NO7Si/c1-20(2,3)29(4,5)28-18-15(17(24)16(23)14(11-22)27-18)21-19(25)26-12-13-9-7-6-8-10-13/h6-10,14-18,22-24H,11-12H2,1-5H3,(H,21,25)/t14?,15?,16-,17?,18+/m1/s1.
What are the key properties of benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate has a molecular weight of 427.57 g/mol, XLogP of 1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate is sourced from PubChem (CID 135018811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).