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Nω-Nitro-D-arginine

CAT: 0024-sc-479057Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-479057Size:5 g
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CAS Number
66036-77-9

Chemical Information

D-Ornithine, N5-(imino(nitroamino)methyl)-
CAS Number66036-77-9
PubChem CID135282
IUPAC Name(2R)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid
Molecular FormulaC6H13N5O4
Molecular Weight219.20
XLogP-3.6
Topological Polar Surface Area160
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity261
SMILES
C(C[C@H](C(=O)O)N)CN=C(N)N[N+](=O)[O-]
InChI
InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m1/s1
InChIKey
MRAUNPAHJZDYCK-SCSAIBSYSA-N
Chemical Structure
2D Structure
2D structure of D-Ornithine, N5-(imino(nitroamino)methyl)-
CAS: 66036-77-9
CID: 135282
Formula: C6H13N5O4
MW: 219.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.20
XLogP3-3.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass219.09675391
Monoisotopic Mass219.09675391
Topological Polar Surface Area160 Ų
Heavy Atom Count15
Formal Charge0
Complexity261
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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