Zoledronic-d3 Acid

CAT: 0024-sc-474995-CWSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-474995-CWSize:1 mg

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CAS Number

1134798-26-7

Chemical Information

Zoledronic-d3 Acid

See also: Zoledronic Acid (annotation moved to).

CAS Number	1134798-26-7
PubChem CID	25207780
IUPAC Name	[1-hydroxy-1-phosphono-2-(2,4,5-trideuterioimidazol-1-yl)ethyl]phosphonic acid
Molecular Formula	C5H10N2O7P2
Molecular Weight	275.11
XLogP	-4.3
Topological Polar Surface Area	153
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	327

SMILES

[2H]C1=C(N(C(=N1)[2H])CC(O)(P(=O)(O)O)P(=O)(O)O)[2H]

InChI

InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)/i1D,2D,4D

InChIKey

XRASPMIURGNCCH-KYKRLZBASA-N

Chemical Structure

2D Structure

CAS: 1134798-26-7

CID: 25207780

Formula: C5H10N2O7P2

MW: 275.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.11
XLogP3	-4.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	275.01515490
Monoisotopic Mass	275.01515490
Topological Polar Surface Area	153 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	327
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-364663	Zoledronic acid, anhydrous
sc-202859A	Zoledronic acid monohydrate
sc-364663A	Zoledronic acid, anhydrous
sc-358597	Zoledronic acid disodium
sc-202859	Zoledronic acid monohydrate
sc-202859B	Zoledronic acid monohydrate
sc-358597A	Zoledronic acid disodium
sc-220414	Zoledronic Acid-15N2,13C2
sc-208497A	Zoledronic Acid, Disodium Salt, Tetrahydrate
sc-208497B	Zoledronic Acid, Disodium Salt, Tetrahydrate