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carbamic acid, [(1r,4s)-4-hydroxy-2-cyclopenten-1-yl]-, phenylmethyl ester, rel- (9ci) - 97%, high purity , CAS No.205675-68-9
Discover carbamic acid, [(1r,4s)-4-hydroxy-2-cyclopenten-1-yl]-, phenylmethyl ester, rel- (9ci) by Aladdin Scientific in 97% for only $935.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
205675-68-9 | Benzyl ((1R,4S)-rel-4-hydroxycyclopent-2-en-1-yl)carbamate | Benzyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]carbamate | carbamic acid, [(1r,4s)-4-hydroxy-2-cyclopenten-1-yl]-, phenylmethyl ester, rel- (9ci) | 221910-76-5 | Carbamic acid, [(1R,4S)-4-hy
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyloxycarbonyls
Intermediate Tree Nodes
Not available
Direct Parent
Benzyloxycarbonyls
Alternative Parents
Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyloxycarbonyl - Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
benzyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]carbamate
INCHI
InChI=1S/C13H15NO3/c15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h1-7,11-12,15H,8-9H2,(H,14,16)/t11-,12+/m0/s1
InChIKey
QIVSXTSYXODYSG-NWDGAFQWSA-N
Smiles
C1C(C=CC1O)NC(=O)OCC2=CC=CC=C2
Isomeric SMILES
C1[C@H](C=C[C@H]1O)NC(=O)OCC2=CC=CC=C2
Molecular Weight
233.2631
Reaxy-Rn
59459238
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=59459238&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
233.260 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
233.105 Da
Monoisotopic Mass
233.105 Da
Topological Polar Surface Area
58.600 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
284.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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