Formula |
C30H29N5O4S |
IUPAC Name |
3-[4-[(2r,3ar,9br)-9-methoxy-3,3a,4,9b-tetrahydro-1h-chromeno[3,4-c]pyrrol-2-yl]butyl]-8-phenyl-pyrazino[1,2]thieno[3,4-b]pyrimidine-2,4-dione |
Molecular Mass |
555.647 g·mol−1 |
Heat of Formation |
-222.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.27 ± 1.08 D |
Volume |
630.9 Å 3 |
Surface Area |
546.56 Å 2 |
HOMO Energy |
-8.65 ± 0.55 eV |
LUMO Energy |
-1.81 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 8-phenyl-3-(4-((3ar,9br)-1,3a,4,9b-tetrahydro-9-methoxy(1)benzopyrano(3,4-c)pyrrol-2(3h)-yl)butyl)pyrazino(2',3':4,5)thieno(3,2-d)pyrimidine-2,4(1h,3h)-dione.
- fiduxosin
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CAS Number(s) |
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InChIKey |
WDTAYDBPNYFWDR-WOJBJXKFSA-N |
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Links |
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Elements |
H
S
C
O
N
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