Cas no 40732-64-7 ([(2R,4R,5R,6S)-5-Acetyloxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate)
![[(2R,4R,5R,6S)-5-Acetyloxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate structure](https://ossimg.kuujia.com/scimg/41000/40732-64-7x500.png)
40732-64-7 structure
Product Name:[(2R,4R,5R,6S)-5-Acetyloxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate
CAS No:40732-64-7
MF:C16H20N2O7
MW:352.339204788208
CID:2667744
Update Time:2023-08-06
[(2R,4R,5R,6S)-5-Acetyloxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate Chemical and Physical Properties
Names and Identifiers
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- 2,2-Dimethylpropionic acid [(2R)-3β-acetoxy-2,3,3aβ,9aβ-tetrahydro-6-oxo-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2α-yl]methyl ester
- 2,2-Dimethylpropionic acid [(2R)-3beta-acetoxy-2,3,3abeta,9abeta-tetrahydro-6-oxo-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2alpha-yl]methyl ester
- [(2R,4R,5R,6S)-5-Acetyloxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methy
- [(2R,4R,5R,6S)-5-Acetyloxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate
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- Inchi： 1S/C16H20N2O7/c1-8(19)23-11-9(7-22-14(21)16(2,3)4)24-13-12(11)25-15-17-10(20)5-6-18(13)15/h5-6,9,11-13H,7H2,1-4H3/t9-,11-,12+,13-/m1/s1
- InChI Key： WDEVFUKOKIWGRA-FOUMNBMASA-N
- SMILES： O1[C@H](COC(C(C)(C)C)=O)[C@H]([C@H]2[C@@H]1N1C=CC(N=C1O2)=O)OC(C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 664
- XLogP3: -0.5
- Topological Polar Surface Area: 104
[(2R,4R,5R,6S)-5-Acetyloxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
40732-64-7 ([(2R,4R,5R,6S)-5-Acetyloxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate) Related Products
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