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15483-27-9

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Basic Information
CAS No.: 15483-27-9
Name: H-ARG-ARG-OH ACETATE SALT
Article Data: 13
Molecular Structure:
Molecular Structure of 15483-27-9 (H-ARG-ARG-OH ACETATE SALT)
Formula: C12H26N8O3
Molecular Weight: 330.39
Synonyms: L-Arginine, N2-L-arginyl-;1688: PN:WO2007124090 PAGE: 83 claimed protein;83: PN: US20090175923 SEQID: 83unclaimed protein;Arginylarginine;L-Arginyl-L-arginine;Arginine,N2-L-arginyl-, L- (6CI,7CI,8CI);
Density: 1.53 g/cm3
PSA: 253.52000
LogP: 0.97360
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Specification

The L-Arginine, L-arginyl-, with the CAS registry number 15483-27-9, is also known as Arginyl-L-arginine. This chemical's molecular formula is C12H26N8O3 and molecular weight is 330.38664. Its IUPAC name is called (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid.

Physical properties of L-Arginine, L-arginyl-: (1)ACD/LogP: -2.37; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -6.86; (4)ACD/LogD (pH 7.4): -6.54; (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: 12; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.654; (13)Molar Refractivity: 79.14 cm3; (14)Molar Volume: 215.7 cm3; (15)Surface Tension: 72.6 dyne/cm; (16)Density: 1.53 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CC(C(=O)NC(CCCN=C(N)N)C(=O)O)N)CN=C(N)N
(2)Isomeric SMILES: C(C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)CN=C(N)N
(3)InChI: InChI=1S/C12H26N8O3/c13-7(3-1-5-18-11(14)15)9(21)20-8(10(22)23)4-2-6-19-12(16)17/h7-8H,1-6,13H2,(H,20,21)(H,22,23)(H4,14,15,18)(H4,16,17,19)/t7-,8-/m0/s1
(4)InChIKey: OMLWNBVRVJYMBQ-YUMQZZPRSA-N