Cas no 732308-70-2 (1,2,3-Cyclopentanetriol, 4-amino-5-methyl-, (1S,2S,3S,4R,5S)- (9CI))
732308-70-2 structure
Product Name:1,2,3-Cyclopentanetriol, 4-amino-5-methyl-, (1S,2S,3S,4R,5S)- (9CI)
CAS No:732308-70-2
MF:C6H13NO3
MW:147.172322034836
CID:559357
Update Time:2024-03-05
1,2,3-Cyclopentanetriol, 4-amino-5-methyl-, (1S,2S,3S,4R,5S)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2,3-Cyclopentanetriol, 4-amino-5-methyl-, (1S,2S,3S,4R,5S)- (9CI)
- 1,2,3-Cyclopentanetriol,4-amino-5-methyl-, (1S,2S,3S,4R,5S)-
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- Inchi： 1S/C6H13NO3/c1-2-3(7)5(9)6(10)4(2)8/h2-6,8-10H,7H2,1H3/t2-,3+,4-,5-,6-/m0/s1
- InChI Key： PTEOOBZJCIANPX-GNFDWLABSA-N
- SMILES： [C@H]1(O)[C@@H](C)[C@@H](N)[C@H](O)[C@H]1O
Computed Properties
- Exact Mass: 147.09
- Monoisotopic Mass: 147.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 86.7A^2
1,2,3-Cyclopentanetriol, 4-amino-5-methyl-, (1S,2S,3S,4R,5S)- (9CI) Related Literature
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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