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D-Arginine
CAS: 157-06-2 | C6H14N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
157-06-2
Molecular Formula:
C6H14N4O2
Molecular Mass:
174.20 g/mol
Names and Synonyms:
D-Arginine
D-Arginine
(2R)-2-Amino-5-[(diaminomethylidene)amino]pentanoic acid
Arginine, D-
(R)-Arginine
(2R)-2-Amino-5-(diaminomethylideneamino)pentanoic acid
(R)-2-Amino-5-guanidinopentanoic acid
(2R)-2-Amino-5-carbamimidamidopentanoic acid
Identifiers:
SMILES:
N=C(N)NCCC[C@@H](N)C(=O)O
InChI:
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1
Key Properties
Melting Point
238 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.20 g/mol | CAS Common Chemistry |
| 174.204 g/mol | RDKit | |
| 174.111675688 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CCCNC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ODKSFYDXXFIFQN-SCSAIBSYSA-N | CAS Common Chemistry |
| Melting Point | 238 °C | CAS Common Chemistry |
| Name | D-Arginine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 125.22000000000001 Ų | RDKit |
| LogP | -1.338429999999999 | RDKit |
| Molar Refractivity | 44.76200000000001 | RDKit |
