CAS No.: 118072-93-8 — - (唑来磷酸)

1. Primary Information

English name:	-
CAS No.:	118072-93-8
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosphonic acid CGP 42'446 CGP 42446 CGP 42446A CGP-42'446

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	560	-20℃	in stock	-
Kehua Intelligence	25mg	≥99%	48	-20℃	in stock	-
Kehua Intelligence	100mg	≥99%	100	-20℃	in stock	-
Kehua Intelligence	1g	≥99%	304	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 26 0 0 0 0 0 0 0999 V2000 -0.3683 1.6247 0.1243 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 -0.7651 -0.0927 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 -0.4625 1.5393 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 2.3207 0.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5597 2.0384 -1.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3938 -2.3344 0.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6566 -0.7877 -1.7006 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9609 1.9763 0.7238 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5415 0.0091 0.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6525 -0.7294 -0.3134 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6558 0.1939 -0.4198 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 -0.1584 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.9986 -0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -1.3510 0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 0.1873 -0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 -0.7632 0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1045 -2.0702 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 -0.8272 -1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6897 -1.4181 1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 -2.1272 1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1018 0.8142 -1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 3.2921 0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3594 2.9585 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 -2.8777 0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -1.0505 -2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4987 -0.9802 1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid

4.2 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)

4.3 InChIKey

XRASPMIURGNCCH-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

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5.2 ¹H nuclear magnetic resonance (¹H NMR)

Coming soon

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)