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41003-10-5 | 2-Amino-1-hydroxyethane-1,1-diphosphonic acid
CAS No: 41003-10-5 Catalog No: AG003AKA MDL No:MFCD30070877
Product Description
Catalog Number:
AG003AKA
Chemical Name:
2-Amino-1-hydroxyethane-1,1-diphosphonic acid
CAS Number:
41003-10-5
Molecular Formula:
C2H9NO7P2
Molecular Weight:
221.0429
MDL Number:
MFCD30070877
IUPAC Name:
(2-amino-1-hydroxy-1-phosphonoethyl)phosphonic acid
InChI:
InChI=1S/C2H9NO7P2/c3-1-2(4,11(5,6)7)12(8,9)10/h4H,1,3H2,(H2,5,6,7)(H2,8,9,10)
InChI Key:
VIQIHJVEWLYSEJ-UHFFFAOYSA-N
SMILES:
NCC(P(=O)(O)O)(P(=O)(O)O)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
221.042g/mol
Monoisotopic Mass:
220.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.3
Literature
| Title | Journal |
|---|---|
| Highly potent geminal bisphosphonates. From pamidronate disodium (Aredia) to zoledronic acid (Zometa). | Journal of medicinal chemistry 20020815 |
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