benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate

C21H35NO5Si — CID 162412383

IUPACbenzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate
SMILESCC1O[C@H](O[Si](C)(C)C(C)(C)C)C[C@@](C)(NC(=O)OCc2ccccc2)C1O
InChIInChI=1S/C21H35NO5Si/c1-15-18(23)21(5,13-17(26-15)27-28(6,7)20(2,3)4)22-19(24)25-14-16-11-9-8-10-12-16/h8-12,15,17-18,23H,13-14H2,1-7H3,(H,22,24)/t15?,17-,18?,21-/m1/s1
InChIKeyNHYNNOWRYVNKAT-OYMMLTSBSA-N
MW409.60 g/mol
LogP4.19
Rot. Bonds5

About benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate

benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate (PubChem CID 162412383) has the molecular formula C21H35NO5Si and a molecular weight of 409.60 g/mol. Its IUPAC name is benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate
PubChem CID162412383
Molecular FormulaC21H35NO5Si
Molecular Weight409.60 g/mol
Exact Mass409.23
IUPAC Namebenzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate
SMILESCC1O[C@H](O[Si](C)(C)C(C)(C)C)C[C@@](C)(NC(=O)OCc2ccccc2)C1O
InChIInChI=1S/C21H35NO5Si/c1-15-18(23)21(5,13-17(26-15)27-28(6,7)20(2,3)4)22-19(24)25-14-16-11-9-8-10-12-16/h8-12,15,17-18,23H,13-14H2,1-7H3,(H,22,24)/t15?,17-,18?,21-/m1/s1
InChIKeyNHYNNOWRYVNKAT-OYMMLTSBSA-N
XLogP4.19
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 2-{[(benzyloxy)carbonyl]amino}-2,3,6-trideoxyhexopyranoside
CID 8184016
benzyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate
CID 10506136
benzyl N-[(4R,5S,6S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6-[(E)-prop-1-enyl]-1,3-dioxan-5-yl]carbamate
CID 60194958
benzyl N-[(3R,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate
CID 134846363
benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate
CID 134870749
(4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one
CID 134971254
CbzNH(-2d)Hex-O-TBDMS
CID 135018811
CbzNH(-2d)[Bn(-6)]Hex3Ac-O-TBDMS
CID 135018814
benzyl N-[(3R,4R)-3-hydroxy-2,5-dimethyl-4-phenylmethoxyhexan-2-yl]carbamate
CID 139247220
benzyl N-[(3S,4R)-3-hydroxy-2,5-dimethyl-4-phenylmethoxyhexan-2-yl]carbamate
CID 139247221
benzyl N-[3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]carbamate
CID 258656
benzyl N-[[(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-methyloxan-2-yl]methyl]carbamate
CID 58520886

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate?
The IUPAC name of benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate (CID 162412383) is benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate?
The canonical SMILES for benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate is CC1O[C@H](O[Si](C)(C)C(C)(C)C)C[C@@](C)(NC(=O)OCc2ccccc2)C1O.
What is the InChIKey of benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate?
The InChIKey is NHYNNOWRYVNKAT-OYMMLTSBSA-N. The full InChI is InChI=1S/C21H35NO5Si/c1-15-18(23)21(5,13-17(26-15)27-28(6,7)20(2,3)4)22-19(24)25-14-16-11-9-8-10-12-16/h8-12,15,17-18,23H,13-14H2,1-7H3,(H,22,24)/t15?,17-,18?,21-/m1/s1.
What are the key properties of benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate?
benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate has a molecular weight of 409.60 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate is sourced from PubChem (CID 162412383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).