tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate

C12H25NO7 — CID 90296833

IUPACtert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate
SMILESCC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CONC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO7/c1-5-7(14)9(16)10(17)8(15)6-19-13-11(18)20-12(2,3)4/h7-10,14-17H,5-6H2,1-4H3,(H,13,18)/t7-,8-,9-,10-/m1/s1
InChIKeyUDWYKCPIZBZIAV-ZYUZMQFOSA-N
MW295.33 g/mol
LogP-0.70
Rot. Bonds7

About tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate

tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate (PubChem CID 90296833) has the molecular formula C12H25NO7 and a molecular weight of 295.33 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate
PubChem CID90296833
Molecular FormulaC12H25NO7
Molecular Weight295.33 g/mol
Exact Mass295.16
IUPAC Nametert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate
SMILESCC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CONC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO7/c1-5-7(14)9(16)10(17)8(15)6-19-13-11(18)20-12(2,3)4/h7-10,14-17H,5-6H2,1-4H3,(H,13,18)/t7-,8-,9-,10-/m1/s1
InChIKeyUDWYKCPIZBZIAV-ZYUZMQFOSA-N
XLogP-0.70
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 144591557
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CID 105492435
tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
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tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate
CID 91490208
tert-butyl N-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropyl]carbamate
CID 15153709
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxyhexyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 174197521
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154
tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
CID 135285194
tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate
CID 10880575
2-[(2-methylpropan-2-yl)oxycarbonylamino]oxybutanoic acid
CID 102304074

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate (CID 90296833) is tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate is CC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CONC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate?
The InChIKey is UDWYKCPIZBZIAV-ZYUZMQFOSA-N. The full InChI is InChI=1S/C12H25NO7/c1-5-7(14)9(16)10(17)8(15)6-19-13-11(18)20-12(2,3)4/h7-10,14-17H,5-6H2,1-4H3,(H,13,18)/t7-,8-,9-,10-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate?
tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate has a molecular weight of 295.33 g/mol, XLogP of -0.70, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyheptoxy]carbamate is sourced from PubChem (CID 90296833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).