Formula |
C12H20N5O6P |
IUPAC Name |
[(3r)-3-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methoxy]-4-hydroxy-butyl]-ethoxy-phosphinic acid |
Molecular Mass |
361.291 g·mol−1 |
Heat of Formation |
-1084.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
15.19 ± 1.08 D |
Volume |
396.56 Å 3 |
Surface Area |
338.59 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
-0.43 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 9-(3'-ethylphosphono-1'-hydroxymethyl-1'-propyloxymethyl)guanine
- [(3r)-3-[(2-amino-6-keto-3h-purin-9-yl)methoxy]-4-hydroxy-butyl]-ethoxy-phosphinic acid
- [(3r)-3-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]-4-hydroxy-butyl]-ethoxy-phosphinic acid
- [(3r)-3-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]-4-hydroxybutyl]-ethoxyphosphinic acid
- [3-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-4-hydroxy-butyl]-phosphonic acid monoethyl ester
- phosphonic acid, (3-((2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methoxy)-4-hydroxybutyl)-, monoethyl ester, (r)-
- sr-3727a
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CAS Number(s) |
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InChIKey |
SHTSUAVVZOYEBO-MRVPVSSYSA-N |
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Links |
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Elements |
P
C
H
O
N
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