CAS
959745-76-7 Purity
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959745-76-7 Purity
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![Ethyl (1S*,2R*,3S*,5R*)-2-(tert-butoxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate](https://resource.alfa-chemistry.com/structure/959745-88-1.gif)
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Ethyl(1r*,2r*,3r*,4r*)-4-azido-2-(tert-butoxycarbonylamino)-3-hydroxycyclopentane-carboxylate
CAS
959745-80-3
Catalog Number
ACM959745803
Category
Other Products
Molecular Weight
314.34
Molecular Formula
C13H22N4O5
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Specification
Synonyms
959745-80-3, 959745-89-2, 959745-90-5, Ethyl (1R*,2R*,3R*,4R*)-4-azido-2-(tert-butoxycarbonylamino)-3-hydroxycyclopentane-carboxylate, Ethyl (1R*,2R*,3S*,4S*)-4-azido-2-(tert-butoxycarbonylamino)-3-hydroxycyclopentane-carboxylate, Ethyl (1S*,2R*,3S*,4S*)-4-azido-2-(tert-butoxycarbonylamino)-3-hydroxycyclopentane-carboxylate
IUPAC Name
ethyl 4-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
Canonical SMILES
CCOC(=O)C1CC(C(C1NC(=O)OC(C)(C)C)O)N=[N+]=[N-]
InChI Key
OQBGDQJMLWENBU-UHFFFAOYSA-N
Exact Mass
314.15900
H-Bond Acceptor
7
H-Bond Donor
2
What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C13H22N4O5.
What are the synonyms of the compound mentioned in the reference?
The synonyms are Ethyl(1r*,2r*,3r*,4r*)-4-azido-2-(tert-butoxycarbonylamino)-3-hydroxycyclopentane-carboxylate and others listed in the reference.
When was the compound created and last modified?
The compound was created on 2008-02-04 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is ethyl (1R,2R,3R,4R)-4-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate.
What is the InChIKey for the compound?
The InChIKey is OQBGDQJMLWENBU-KYXWUPHJSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.2.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 99.2Å2.
How many defined atom stereocenter counts does the compound have?
The compound has 4 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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