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L-Carbidopa-3', 4'-Diphosphate

CAT: 0572-TRC-C176093-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C176093-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1907685-82-8
Hazard Statement
No Data Available
Smiles
C[C@@](Cc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1)(NN)C(=O)O
Molecular Formula
C10 H16 N2 O10 P2
Molecular Weight
386.189
InChI
InChI=1S/C10H16N2O10P2/c1-10(12-11,9(13)14)5-6-2-3-7(21-23(15,16)17)8(4-6)22-24(18,19)20/h2-4,12H,5,11H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20)/t10-/m0/s1
Additionnal Information
IUPAC name: (2S)-3-(3,4-diphosphonooxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Shipping Conditions
Room Temperature

Chemical Information

L-Carbidopa-3', 4'-Diphosphate
CAS Number1907685-82-8
PubChem CID121288764
IUPAC Name(2S)-3-(3,4-diphosphonooxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Molecular FormulaC10H16N2O10P2
Molecular Weight386.19
XLogP-7.1
Topological Polar Surface Area209
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity548
SMILES
C[C@](CC1=CC(=C(C=C1)OP(=O)(O)O)OP(=O)(O)O)(C(=O)O)NN
InChI
InChI=1S/C10H16N2O10P2/c1-10(12-11,9(13)14)5-6-2-3-7(21-23(15,16)17)8(4-6)22-24(18,19)20/h2-4,12H,5,11H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20)/t10-/m0/s1
InChIKey
LYLIRFRNFPSPFI-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of L-Carbidopa-3', 4'-Diphosphate
CAS: 1907685-82-8
CID: 121288764
Formula: C10H16N2O10P2
MW: 386.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.19
XLogP3-7.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass386.02801871
Monoisotopic Mass386.02801871
Topological Polar Surface Area209 Ų
Heavy Atom Count24
Formal Charge0
Complexity548
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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