Formula |
C9H23NO7P2 |
IUPAC Name |
[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphono-propyl]phosphonic acid |
Molecular Mass |
319.229 g·mol−1 |
Heat of Formation |
-1821.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.04 ± 1.08 D |
Volume |
371.36 Å 3 |
Surface Area |
317.46 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
-0.06 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- (1-hydroxy-3-(methylpentylamino)propylidene)diphosphonic acid
- [1-hydroxy-3-(methyl-pentyl-amino)-1-phosphono-propyl]-phosphonic acid
- [1-hydroxy-3-(methyl-pentyl-amino)-1-phosphono-propyl]phosphonic acid
- [3-(amyl-methyl-amino)-1-hydroxy-1-phosphono-propyl]phosphonic acid
- bfq
- ibandronate
- ibandronic acid
- ibandronic acid [ban:inn]
- phosphonic acid, (1-hydroxy-3-(methylpentylamino)propylidene)bis-
- phosphonic acid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-
|
InChIKey |
MPBVHIBUJCELCL-UHFFFAOYSA-N |
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Elements |
P
C
H
O
N
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