Formula |
C20H25N3O7S2 |
IUPAC Name |
[3-[[1-(guanidinooxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate |
Molecular Mass |
483.558 g·mol−1 |
Heat of Formation |
-827.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.66 ± 1.08 D |
Volume |
524.17 Å 3 |
Surface Area |
397.35 Å 2 |
HOMO Energy |
-8.17 ± 0.55 eV |
LUMO Energy |
-1.31 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-mesylbenzenesulfonic acid [3-[[1-(guanidinooxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] ester
- 2-methanesulfonyl-benzenesulfonic acid 3-methyl-5-((1-amidinoaminooxymethyl-cyclopropyl)methyloxy)-phenylester
- 2-methylsulfonylbenzenesulfonic acid [3-[[1-(guanidinooxymethyl)cyclopropyl]methoxy]-5-methylphenyl] ester
- 81a
- [3-[[1-[(diaminomethylideneamino)oxymethyl]cyclopropyl]methoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate
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InChIKey |
FXPLUZROHGTSCH-UHFFFAOYSA-N |
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Links |
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Elements |
H
S
C
O
N
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