Cas no 312904-18-0 (Ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate)
312904-18-0 structure
Product Name:Ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate
CAS No:312904-18-0
MF:C19H32N2O4
MW:352.468385696411
CID:2732332
Update Time:2023-08-07
Ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- ethyl (3R,4R,5S)-4-N-acetylamino-5-N-allylamino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate
- (3r,4r,5s)-4-acetylamino-5-allylamino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester
- ethyl (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
- Ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate
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- Inchi： 1S/C19H32N2O4/c1-6-10-20-16-11-14(19(23)24-9-4)12-17(18(16)21-13(5)22)25-15(7-2)8-3/h6,12,15-18,20H,1,7-11H2,2-5H3,(H,21,22)/t16-,17+,18+/m0/s1
- InChI Key： YAYJVAVBLBKVLR-RCCFBDPRSA-N
- SMILES： O(C(CC)CC)[C@@H]1C=C(C(=O)OCC)C[C@@H]([C@H]1NC(C)=O)NCC=C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 11
- Complexity: 486
- XLogP3: 2.3
- Topological Polar Surface Area: 76.7
Ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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