AG00913J

100157-55-9 | Z-D-allo-Thr(tBu)-OH DCHA

AG00913J

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CAS Number	100157-55-9
Catalog Number	AG00913J(AGN-PC-0NUX5S)
Chemical Name	Z-D-allo-Thr(tBu)-OH DCHA
IUPAC Name	N-cyclohexylcyclohexanamine;(2R,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C16H23NO5.C12H23N/c1-11(22-16(2,3)4)13(14(18)19)17-15(20)21-10-12-8-6-5-7-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2/t11-,13-;/m1./s1
InChI Key	STGGZKHUOOUVBV-LOCPCMAASA-N
MDL Number	MFCD08458676
Molecular Formula	C16H23NO5
Molecular Weight	309.3575
SMILES	C[C@@H](OC(C)(C)C)[C@H](C(O)=O)NC(OCC1=CC=CC=C1)=O
Synonyms	Z-D-ALLO-THR(TBU)-OH DCHA, 100157-55-9, C16H23NO5.C12H23N, 7873AH, MFCD08458676, K-0150, z-o-t-Butyl-D-allo-threonine cyclohexylammonium salt, D-Allothreonine,O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, Z-Allo-thr(tbu)-oh dcha, STGGZKHUOOUVBV-LOCPCMAASA-N, 198828-94-3,

Complexity	487
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	490.341g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	490.685g/mol
Monoisotopic Mass	490.341g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	96.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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