Formula |
C8H10NO5P |
IUPAC Name |
(3s)-3-hydroxy-8-methyl-3-oxo-1,5-dihydro-[1,3,2]dioxaphosphepino[5,6-c]pyridin-9-ol |
Molecular Mass |
231.142 g·mol−1 |
Heat of Formation |
-1072.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.70 ± 1.08 D |
Volume |
232.94 Å 3 |
Surface Area |
219.87 Å 2 |
HOMO Energy |
-9.41 ± 0.55 eV |
LUMO Energy |
-0.53 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-hydroxy-10-methyl-4-oxo-3,5-dioxa-9-aza-4$l^{5}-phosphabicyclo[5.4.0]undeca-1(11),7,9-trien-11-ol
- 4-hydroxy-4-keto-10-methyl-3,5-dioxa-9-aza-4$l^{5}-phosphabicyclo[5.4.0]undeca-1(11),7,9-trien-11-ol
- tocris-1203
|
InChIKey |
KCAJHODRYGNBSX-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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|
Elements |
P
C
H
O
N
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