AG0026UI

17916-88-0 | D-Valine, N-acetyl-

AG0026UI

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CAS Number	17916-88-0
Catalog Number	AG0026UI(AGN-PC-0O52MH)
Chemical Name	D-Valine, N-acetyl-
EC Number	241-860-9
IUPAC Name	(2R)-2-acetamido-3-methylbutanoic acid
InChI	InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m1/s1
InChI Key	IHYJTAOFMMMOPX-ZCFIWIBFSA-N
MDL Number	MFCD00026457
Molecular Formula	C7H13NO3
Molecular Weight	159.1830
SMILES	C(C)(=O)N[C@H](C(C)C)C(=O)O
Synonyms	N-Acetyl-D-valine, 17916-88-0, Ac-D-Val-OH, D-Valine, N-acetyl-, Acetyl-D-Valine, (2R)-2-acetamido-3-methylbutanoic acid, IHYJTAOFMMMOPX-ZCFIWIBFSA-N, (2R)-2-(acetylamino)-3-methylbutanoic acid, N-Acetylvaline #, EINECS 241-860-9, AC1L2QZQ, AC1Q5JMD, CHEMBL173343, SCHEMBL1203937, CTK0H7887, DTXSID20170774, ZINC399366, ALBB-014720, ANW-22964, BBL033860, MFCD00026457, MFCD03939895, STK801799, AKOS015837753, AM82365, MCULE-3375530717, RTR-008223, NCGC00338273-01, AJ-21728, AS-47597, TR-008223, A0678, FT-0683920, ST24048496, ST50410825, X6675, K-5493, AB01330628-02, 916A880, I04-1583, J-300292, N-Acetylvaline, C7H13NO3, C7-H13-N-O3, CID76475, AR-1K5745, ACN-033708, 35981-68-1,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	159.09g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	159.185g/mol
Monoisotopic Mass	159.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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