Cas no 827623-60-9 (Heptanoic acid, 2,3-bis(benzoyloxy)-, ethyl ester, (2R,3S)-)
827623-60-9 structure
Product Name:Heptanoic acid, 2,3-bis(benzoyloxy)-, ethyl ester, (2R,3S)-
CAS No:827623-60-9
MF:C23H26O6
MW:398.448947429657
CID:682808
PubChem ID:11603662
Update Time:2025-04-19
Heptanoic acid, 2,3-bis(benzoyloxy)-, ethyl ester, (2R,3S)- Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid, 2,3-bis(benzoyloxy)-, ethyl ester, (2R,3S)-
- [(2R,3S)-2-benzoyloxy-1-ethoxy-1-oxoheptan-3-yl] benzoate
- 827623-60-9
- DTXSID40469319
-
- Inchi： 1S/C23H26O6/c1-3-5-16-19(28-21(24)17-12-8-6-9-13-17)20(23(26)27-4-2)29-22(25)18-14-10-7-11-15-18/h6-15,19-20H,3-5,16H2,1-2H3/t19-,20+/m0/s1
- InChI Key： WQUHBMZODOSWTJ-VQTJNVASSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)[C@H]([C@H](C(=O)OCC)OC(C1C=CC=CC=1)=O)CCCC
Computed Properties
- Exact Mass: 398.17293854g/mol
- Monoisotopic Mass: 398.17293854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 13
- Complexity: 520
- 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: 5.5
- Topological Polar Surface Area: 78.9?2
Heptanoic acid, 2,3-bis(benzoyloxy)-, ethyl ester, (2R,3S)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
827623-60-9 (Heptanoic acid, 2,3-bis(benzoyloxy)-, ethyl ester, (2R,3S)-) Related Products
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- 201789-32-4(1,2,3,4-Tetra-O-benzoyl-D-glucuronide Methyl Ester)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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