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DTPMP

CAT: 1596-AR-P31441-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P31441-01Size:10 Units
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CAS Number
15827-60-8
Molecular Formula
C9H28N3O15P5
Molecular Weight
573.20
API Name
Phosphonic acid

Chemical Information

Diethylenetriaminepenta(methylenephosphonic acid)

RN given refers to parent cpd; used with 113mIn for bone scanning

CAS Number15827-60-8
PubChem CID85128
IUPAC Name[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
Molecular FormulaC9H28N3O15P5
Molecular Weight573.20
XLogP-15.1
Topological Polar Surface Area297
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count16
Heavy Atom Count32
Formal Charge0
Complexity720
SMILES
C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)
InChIKey
DUYCTCQXNHFCSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethylenetriaminepenta(methylenephosphonic acid)
CAS: 15827-60-8
CID: 85128
Formula: C9H28N3O15P5
MW: 573.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.20
XLogP3-15.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count16
Exact Mass573.02085218
Monoisotopic Mass573.02085218
Topological Polar Surface Area297 Ų
Heavy Atom Count32
Formal Charge0
Complexity720
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
FD150541DTPMP heptasodium

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