Cas no 25383-78-2 ([(2R,4R,5R,6S)-5-Hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate)
![[(2R,4R,5R,6S)-5-Hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate structure](https://ossimg.kuujia.com/scimg/25500/25383-78-2x500.png)
25383-78-2 structure
Product Name:[(2R,4R,5R,6S)-5-Hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate
CAS No:25383-78-2
MF:C11H12N2O6
MW:268.222783088684
CID:2661295
Update Time:2023-08-06
[(2R,4R,5R,6S)-5-Hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate Chemical and Physical Properties
Names and Identifiers
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- (2R,3aβ,9aβ)-2α-(Acetoxymethyl)-2,3,3a,9a-tetrahydro-3β-hydroxy-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one
- (3aS)-2t-acetoxymethyl-3c-hydroxy-(3ar,9ac)-2,3,3a,9a-tetrahydro-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one
- (2R,3abeta,9abeta)-2alpha-(Acetoxymethyl)-2,3,3a,9a-tetrahydro-3beta-hydroxy-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one
- [(2R,4R,5R,6S)-5-Hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl
- [(2R,4R,5R,6S)-5-Hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate
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- Inchi： 1S/C11H12N2O6/c1-5(14)17-4-6-8(16)9-10(18-6)13-3-2-7(15)12-11(13)19-9/h2-3,6,8-10,16H,4H2,1H3/t6-,8-,9+,10-/m1/s1
- InChI Key： FGXWBNXMRVWIIS-SFKDOBOXSA-N
- SMILES： O1[C@H](COC(C)=O)[C@H]([C@H]2[C@@H]1N1C=CC(N=C1O2)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 488
- XLogP3: -2.4
- Topological Polar Surface Area: 97.7
[(2R,4R,5R,6S)-5-Hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate Related Literature
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
25383-78-2 ([(2R,4R,5R,6S)-5-Hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate) Related Products
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