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Combretastatin A-1 Phosphate

CAT: 0926-NLA84734-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-NLA84734-01Size:50 mg
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CAS Number
288847-34-7
MDL Number
MFCD07368392
Smiles
C1=CSC2=NC (=C (N21) C (=O) N) C (F) (F) F
Molecular Formula
C18H18Na4O12P2
Molecular Weight
580.2 g/mol
Controlled
No

Chemical Information

tetrasodium;[3-methoxy-2-phosphonatooxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CAS Number288847-34-7
PubChem CID6918545
IUPAC Nametetrasodium;[3-methoxy-2-phosphonatooxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
Molecular FormulaC18H18Na4O12P2
Molecular Weight580.2
Topological Polar Surface Area182
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity669
SMILES
COC1=C(C(=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C18H22O12P2.4Na/c1-25-13-8-7-12(16(29-31(19,20)21)18(13)30-32(22,23)24)6-5-11-9-14(26-2)17(28-4)15(10-11)27-3;;;;/h5-10H,1-4H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/b6-5-;;;;
InChIKey
NRKFVEPAQNCYNJ-YGGCHVFLSA-J
Chemical Structure
2D Structure
2D structure of tetrasodium;[3-methoxy-2-phosphonatooxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CAS: 288847-34-7
CID: 6918545
Formula: C18H18Na4O12P2
MW: 580.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass579.98642713
Monoisotopic Mass579.98642713
Topological Polar Surface Area182 Ų
Heavy Atom Count36
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19212966-01Combretastatin A1 phosphate
HY-16146Combretastatin A-1 phosphate (tetrasodium)
TBZ2863Combretastatin A4 disodium phosphate
GTR19222173-01Combretastatin A-1 phosphate tetrasodium
S7204-01Fosbretabulin (Combretastatin A4 Phosphate) Disodium
268677-01Combretastatin A4 phosphate disodium salt
B1634-5.1Fosbretabulin (Combretastatin A4 Phosphate (CA4P)) Disodium
A14352-5Combretastatin A1 phosphate (Oxi 4503) 5mg
A14352-1Combretastatin A1 phosphate (Oxi 4503) 1mg
A14352-25Combretastatin A1 phosphate (Oxi 4503) 25mg

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