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Phosphoramidon sodium

CAT: 0926-FP29631-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FP29631-01Size:5 mg
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CAS Number
119942-99-3
Synonyms
NSC 694280
Smiles
C[C@H]1[C@@H] ([C@H] ([C@H] ([C@@H] (O1) OP (=O) (N[C@@H] (CC (C) C) C (=O) N[C@@H] (CC2=CNC3=CC=CC=C32) C (=O) [O-]) [O-]) O) O) O.[Na+].[Na+]
Molecular Formula
C23H34N3O10P·xNa
Molecular Weight
587.47 g/mol
Controlled
No

Chemical Information

Phosphoramidon Disodium
CAS Number119942-99-3
PubChem CID16219931
IUPAC Namedisodium;(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[oxido-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]pentanoyl]amino]propanoate
Molecular FormulaC23H32N3Na2O10P
Molecular Weight587.5
Topological Polar Surface Area216
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity834
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])[O-])O)O)O.[Na+].[Na+]
InChI
InChI=1S/C23H34N3O10P.2Na/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15;;/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34);;/q;2*+1/p-2/t12-,16-,17-,18-,19+,20+,23-;;/m0../s1
InChIKey
OQKHVXFOYFBMDJ-ODIUWQMJSA-L
Chemical Structure
2D Structure
2D structure of Phosphoramidon Disodium
CAS: 119942-99-3
CID: 16219931
Formula: C23H32N3Na2O10P
MW: 587.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass587.16206979
Monoisotopic Mass587.16206979
Topological Polar Surface Area216 Ų
Heavy Atom Count39
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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