tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate

C22H49NO6Si2 — CID 91455667

IUPACtert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C(O)CO)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H49NO6Si2/c1-20(2,3)28-19(26)23-18(16(25)14-24)17(29-31(12,13)22(7,8)9)15-27-30(10,11)21(4,5)6/h16-18,24-25H,14-15H2,1-13H3,(H,23,26)/t16?,17-,18+/m1/s1
InChIKeyHRHALDIFKSOXIT-RWZMTBSZSA-N
MW479.81 g/mol
LogP4.65
Rot. Bonds9

About tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate

tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate (PubChem CID 91455667) has the molecular formula C22H49NO6Si2 and a molecular weight of 479.81 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate
PubChem CID91455667
Molecular FormulaC22H49NO6Si2
Molecular Weight479.81 g/mol
Exact Mass479.31
IUPAC Nametert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C(O)CO)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H49NO6Si2/c1-20(2,3)28-19(26)23-18(16(25)14-24)17(29-31(12,13)22(7,8)9)15-27-30(10,11)21(4,5)6/h16-18,24-25H,14-15H2,1-13H3,(H,23,26)/t16?,17-,18+/m1/s1
InChIKeyHRHALDIFKSOXIT-RWZMTBSZSA-N
XLogP4.65
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.81
LogP ≤ 54.65
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

[(2R,3S,4S,5R)-4-acetyloxy-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl] acetate
CID 52920984
tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate
CID 23239903
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
tert-butyl N-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpent-4-en-2-yl]carbamate
CID 10958910
tert-butyl N-[(3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-3-methyloct-7-en-4-yl]carbamate
CID 89080770
tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate
CID 101386007
tert-butyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 11752411
[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid
CID 87421525
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880863
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate (CID 91455667) is tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](C(O)CO)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate?
The InChIKey is HRHALDIFKSOXIT-RWZMTBSZSA-N. The full InChI is InChI=1S/C22H49NO6Si2/c1-20(2,3)28-19(26)23-18(16(25)14-24)17(29-31(12,13)22(7,8)9)15-27-30(10,11)21(4,5)6/h16-18,24-25H,14-15H2,1-13H3,(H,23,26)/t16?,17-,18+/m1/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate?
tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate has a molecular weight of 479.81 g/mol, XLogP of 4.65, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate is sourced from PubChem (CID 91455667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).