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(3E)-2-amino-4-methyl-5-phosphonopent-3-enoic acid

(3E)-2-amino-4-methyl-5-phosphonopent-3-enoic acid

CAS: 127910-31-0

Formula: C6H12NO5P

SMILES: CC(CP(O)(O)=O)=C/C(N)C(O)=O

IUPAC: (3E)-2-amino-4-methyl-5-phosphonopent-3-enoic acid

InChI: InChI=1/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)/b4-2+

Composition: C (34.46%), H (5.78%), N (6.70%), O (38.25%), P (14.81%)

Molar Mass: 209.138

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 209.045309488
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey BDYHNCZIGYIOGJ-DUXPYHPUNA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.68
Topological Polar Surface Area 120.85
Polarizability 18
Ring Count 0
Rotatable Bond Count 4

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