CAS
959745-75-6 Purity
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959745-75-6 Purity
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![Ethyl (1R*,2R*,3R*,5S*)-2-(9-fluorenylmethoxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate](https://resource.alfa-chemistry.com/structure/959745-77-8.gif)
![Ethyl (1S*,2R*,3R*,5R*)-2-(tert-butoxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate](https://resource.alfa-chemistry.com/structure/959745-87-0.gif)
![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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Benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate
CAS
959745-78-9
Catalog Number
ACM959745789
Category
Other Products
Molecular Weight
367.4
Molecular Formula
C21H21NO5
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Specification
Synonyms
959745-78-9, Benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate
IUPAC Name
benzyl 2-(phenylmethoxycarbonylamino)-6-oxabicyclo[3.1.0]hexane-3-carboxylate
Canonical SMILES
C1C(C(C2C1O2)NC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI Key
KQAXLKWCZGUGEK-UHFFFAOYSA-N
Boiling Point
540.5ºC at 760 mmHg
Flash Point
280.7ºC
Density
1.3g/cm³
Exact Mass
367.14200
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate?
The molecular formula is C21H21NO5.
When was benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate created?
It was created on 2008-02-04.
What is the molecular weight of benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate?
The molecular weight is 367.4 g/mol.
What is the IUPAC name of benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name is benzyl (1R,2R,3R,5S)-2-(phenylmethoxycarbonylamino)-6-oxabicyclo[3.1.0]hexane-3-carboxylate.
How many hydrogen bond donor counts are there in benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate?
There is 1 hydrogen bond donor count.
What is the XLogP3-AA value of benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate?
The XLogP3-AA value is 3.3.
How many rotatable bond counts are there in benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate?
There are 8 rotatable bond counts.
What is the topological polar surface area of benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate?
The topological polar surface area is 77.2 Ų.
How many heavy atom counts are there in benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate?
There are 27 heavy atom counts.
Is benzyl (1R*,2R*,3R*,5S*)-2-(benzyloxycarbonylamino)-6-oxa-bicyclo[3.1.0]hexane-3-carboxylate considered a canonicalized compound?
Yes, it is considered a canonicalized compound.
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CAS
959745-76-7 Purity
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959745-76-7 Purity
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