Cas no 77732-43-5 (PR-Amide)
PR-Amide structure
Product Name:PR-Amide
CAS No:77732-43-5
MF:C17H21NO6
MW:335.35174536705
CID:563459
Update Time:2024-03-01
PR-Amide Chemical and Physical Properties
Names and Identifiers
-
- Spiro[naphth[1,2-b]oxirene-5(1aH),2'-oxirane]-3'-carboxamide,2-(acetyloxy)-2,3,3a,4,6,7b-hexahydro-3,3',3a-trimethyl-6-oxo-,(1aR,2R,2'R,3R,3'S,3aR,7bS)-
- PR-amide
- PR Toxin amide
- Spiro(naphth(1,2-b)oxirene-5(1aH),2'-oxirane)-3'-carboxamide, 2-(acetyloxy)-2,3,3a,4,6,7b-hexahydro-3,3',3a-trimethyl-6-oxo-, (1aR-(1aalpha,2beta,3beta,3abeta,5beta(S*),7balpha))-
- 2-(Acetyloxy)-3,3',3a-trimethyl-6-oxo-2,3,3a,4,6,7b-hexahydro-1aH-spiro[naphtho[1,2-b]oxirene-5,2'-oxirane]-3'-carboximidic acid
- Spiro[naphth[1,2-b]oxirene-5(1aH),2'-oxirane]-3'-carboxamide,2-(acetyloxy)-2,3,3a,4,6,7b-hexahydro-3,3',3a-trimethyl-6-oxo-,(1aR,2R
- PR-Amide
-
- Inchi： 1S/C17H21NO6/c1-7-11(22-8(2)19)13-12(23-13)9-5-10(20)17(6-15(7,9)3)16(4,24-17)14(18)21/h5,7,11-13H,6H2,1-4H3,(H2,18,21)/t7?,11?,12?,13-,15?,16?,17?/m1/s1
- InChI Key： ASDRLEIRFUEAND-CYJYABBKSA-N
- SMILES： O1C(C(N)=O)(C)C21C(C=C1C3[C@@H](C(C(C)C1(C)C2)OC(C)=O)O3)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 716
- Topological Polar Surface Area: 112
- XLogP3: -1.248
PR-Amide Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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