Cas no 581094-59-9 (Cyclopentanecarboxylic Acid, 2,2,3-trimethyl-, (1s,3s)- (9ci))
581094-59-9 structure
Product Name:Cyclopentanecarboxylic Acid, 2,2,3-trimethyl-, (1s,3s)- (9ci)
CAS No:581094-59-9
MF:C9H16O2
MW:156.222143173218
CID:1608605
PubChem ID:11332593
Update Time:2025-04-21
Cyclopentanecarboxylic Acid, 2,2,3-trimethyl-, (1s,3s)- (9ci) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxylic Acid, 2,2,3-trimethyl-, (1s,3s)- (9ci)
- 21-amino-epothilone B
- 21-aminoepothilone B
- BMS-310705
- (1S,3S)-2,2,3-trimethylcyclopentanecarboxylic acid
- 4,17-Dioxabicyclo(14.1.0)heptadecane-5,9-dione, 3-((1E)-2-(2-(aminomethyl)-4-thiazolyl)-1-methylethenyl)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-, (1S,3S,7S,10R,11S,12S,16R)-
- (+)-trans-α-dihydrocampholytic acid
- (1S,3S) 3-aminomethylcyclopentanol
- (1S,3S)-2,2,3-trimethyl-cyclopentanecarboxylic acid
- (1S,3S(E),7S,10R,11S,12S,16R)-3-[2-(2-aminomethyl-thiazol-4-yl)-1-methyl-vinyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxa-bicyclo[14.1.0]heptadecane-5,9-dione
- SCHEMBL14389636
- 581094-59-9
-
- Inchi： 1S/C9H16O2/c1-6-4-5-7(8(10)11)9(6,2)3/h6-7H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m0/s1
- InChI Key： LYJVKLGSDVKQPY-NKWVEPMBSA-N
- SMILES： OC([C@H]1CC[C@H](C)C1(C)C)=O
Computed Properties
- Exact Mass: 156.11500
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 2.14330
Cyclopentanecarboxylic Acid, 2,2,3-trimethyl-, (1s,3s)- (9ci) Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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