AG000SI5

1263045-28-8 | Boc-D-dap(z)-ol

AG000SI5

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CAS Number	1263045-28-8
Catalog Number	AG000SI5(AGN-PC-0WAMGJ)
Chemical Name	Boc-D-dap(z)-ol
IUPAC Name	benzyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
InChI	InChI=1S/C16H24N2O5/c1-16(2,3)23-15(21)18-13(10-19)9-17-14(20)22-11-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,20)(H,18,21)/t13-/m1/s1
InChI Key	JQIQDJDXPRRWIN-CYBMUJFWSA-N
MDL Number	MFCD06798156
Molecular Formula	C16H24N2O5
Molecular Weight	324.3722
SMILES	O=C(NC[C@@H](NC(OC(C)(C)C)=O)CO)OCC1=CC=CC=C1
Synonyms	1263045-28-8, Boc-d-dap(z)-ol, (R)-Benzyl tert-butyl (3-hydroxypropane-1,2-diyl)dicarbamate, AC1Q1MST, KS-00000TFC, MFCD06798156, ZINC71788778, AKOS027253092, DS-10303, V5845, tert-butyl N-[(2R)-1-{[(benzyloxy)carbonyl]amino}-3-hydroxypropan-2-yl]carbamate, Carbamic acid, N-[(2R)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxypropyl]-, phenylmethyl ester, JQIQDJDXPRRWIN-CYBMUJFWSA-N, C16H24N2O5, (R)-Na-Boc-Nb-Z-2,3-diaminopropan-1-ol, 412015-69-1,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	324.169g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	324.377g/mol
Monoisotopic Mass	324.169g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	96.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

Lot Number