AG00EEN0

603130-13-8 | (2S,5R)-5-[(tert-Butoxycarbonyl)amino]tetrahydro-2H-pyran-2-carboxylic Acid

AG00EEN0

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CAS Number	603130-13-8
Catalog Number	AG00EEN0(AGN-PC-0SVP7R)
Chemical Name	(2S,5R)-5-[(tert-Butoxycarbonyl)amino]tetrahydro-2H-pyran-2-carboxylic Acid
IUPAC Name	(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid
InChI	InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-7-4-5-8(9(13)14)16-6-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
InChI Key	NROSRTMHTJHLLE-SFYZADRCSA-N
MDL Number	MFCD20261452
Molecular Formula	C11H19NO5
Molecular Weight	245.2723
SMILES	O=C([C@@H]1CC[C@@H](NC(OC(C)(C)C)=O)CO1)O
Synonyms	603130-13-8, (2S,5R)-5-BOC-AMINO-TETRAHYDROPYRAN-2-CARBOXYLIC ACID, (2S,5R)-5-((tert-Butoxycarbonyl)amino)tetrahydro-2H-pyran-2-carboxylic acid, (2S,5R)-5-{[(tert-butoxy)carbonyl]amino}oxane-2-carboxylic acid, (2S,5R)-5-[(tert-butoxycarbonyl)amino]tetrahydro-2H-pyran-2-carboxylic acid, trans-5-(Boc-amino)-tetrahydro-pyran-2-carboxylic acid, 2,6-anhydro-5-[(tert-butoxycarbonyl)amino]-3,4,5-trideoxy-L-erythro-hexonic acid, AK165103, SCHEMBL4523657, (2S,5R)-5-tert-butoxycarbonylamino-tetrahydro-pyran-2-carboxylic acid, DTXSID70448490, NROSRTMHTJHLLE-SFYZADRCSA-N, 4692AJ, MFCD20261452, ZINC34564884, FCH3598602, FCH3957574, PB36003, SB20793, AS-30023, CS-0039053, Q-4472, (2S,5R)-5-{[(tert-butoxy)carbonyl]amino}oxane-2-, (2S,5R)-5-(Boc-amino)tetrahydropyran-2-carboxylic acid, (2S,5R)-5-(tert-Butoxycarbonylamino)tetrahydro-2h-pyran-2-carboxylic acid, Carboxylic acid, C11H19NO5, CID10922812, (2S,5R)-5-{[(Tert-butoxy)carbonyl]amino}, (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic Acid,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	245.126g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.275g/mol
Monoisotopic Mass	245.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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