| Formula |
C17H29N4O8P2S+ |
| IUPAC Name |
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1r)-1-hydroxy-3-methylbutyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate |
| Molecular Mass |
511.447 g·mol−1 |
| Heat of Formation |
1028.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.26 ± 1.08 D |
| Volume |
472.62 Å 3 |
| Surface Area |
374.25 Å 2 |
| HOMO Energy |
-8.10 ± 0.55 eV |
| LUMO Energy |
-2.70 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-[(1r)-1-hydroxy-3-methylbutyl]-4-methyl-5-thiazol-3-iumyl]ethyl phosphono hydrogen phosphate
- 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-[(1r)-1-hydroxy-3-methyl-butyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
- 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-[(1r)-1-hydroxy-3-methyl-butyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
- c2-1-hydroxy-3-methyl-butyl-thiamin
|
| InChIKey |
OZAWOYZVNPQFFO-CQSZACIVSA-O |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
P
S
C
O
N
|
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