CAS No.50913-12-7,BOC-D-ARG(NO2)-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50913-12-7
Name:	BOC-D-ARG(NO2)-OH

Formula:	C₁₁H₂₁N₅O₆
Molecular Weight:	319.318
Synonyms:	Boc-D-Arg(NO2)-OH;
Density:	1.4g/cm³
PSA:	169.36000
LogP:	1.84580

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Specification

The D-Ornithine,N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-, with CAS registry number 50913-12-7, belongs to the following product category: Boc-Amino Acids and Derivative. It has the systematic name of (2R)-5-{[(1E)-amino(nitroamino)methylidene]ammonio}-2-[(tert-butoxycarbonyl)amino]pentanoate. This chemical should be stored at the temperature of -15°C.

Physical properties of D-Ornithine,N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): -2.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 122.15 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 73.89 cm³; (15)Molar Volume: 227.1 cm³; (16)Polarizability: 29.29×10^-24cm³; (17)Surface Tension: 55.3 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C([O-])=O)CCC\[NH+]=C(/N)N[N+]([O-])=O
(2)InChI: InChI=1/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m1/s1
(3)InChIKey: OZSSOVRIEPAIMP-SSDOTTSWBK
(4)Std. InChI: InChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m1/s1
(5)Std. InChIKey: OZSSOVRIEPAIMP-SSDOTTSWSA-N