AG002D3S

200937-17-3 | D-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrate (1:1)

AG002D3S

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CAS Number	200937-17-3
Catalog Number	AG002D3S(AGN-PC-0O72FL)
Chemical Name	D-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrate (1:1)
IUPAC Name	(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
InChI	InChI=1S/C11H21NO4.H2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t8-;/m1./s1
InChI Key	URQQEIOTRWJXBA-DDWIOCJRSA-N
MDL Number	MFCD00038294
Molecular Formula	C11H23NO5
Molecular Weight	249.3040
SMILES	CC(C)C[C@H](C(O)=O)NC(OC(C)(C)C)=O.[H]O[H]
Synonyms	BOC-D-Leucine monohydrate, 200937-17-3, 16937-99-8, (R)-2-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid hydrate, Boc-D-Leu-OH.H2O, BOC-D-LEU-OH H2O, MFCD00065583, D-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, monohydrate, AK-45992, BOC-D-leucine H2O, Boc-D-Leu-OH hydrate, N-Boc-D-LeucineMonohydrate, AC1MC5M2, KSC496M7H, SCHEMBL2838131, CTK3J6673, URQQEIOTRWJXBA-DDWIOCJRSA-N, ACT07343, BOC-D-LEU-OH H2O, AldrichCPR, KS-00000AB9, ANW-22398, FD3022, SBB065789, AKOS015892719, AM81872, CS-W002299, RTR-007396, (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic Acid Hydrate, (tert-butoxycarbonyl)-D-leucine hydrate, DS-13748, SC-09641, AB0053002, AX8008512, N-tert-butoxycarbonyl-D-leucine monohydrate, TR-007396, FT-0774467, ST24035230, M-1819, N-alpha-t-Butyloxycarbonyl-D-leucine monohydrate, D-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrate (1:1), (R)-2-(tert-butoxycarbonylamino)-4-methylpentanoic acid hydrate, (2R)-2-[(tert-butoxy)carbonylamino]-4-methylpentanoic acid, oxamethane, Boc-D-leucine, Boc-DL-Leu-OH.H2O, N-Boc-D-Leucine Monohydrate, ACN-033323, CB10855, CID2724763, A7785, Boc-D-Leu-OH inverted exclamation mark currencyH2O, D-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, monohydrate (9CI),

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	249.158g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	249.307g/mol
Monoisotopic Mass	249.158g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	76.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

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