Cas no 202831-28-5 (2,3-Heptanediol, (2R,3S)-)
2,3-Heptanediol, (2R,3S)- structure
Product Name:2,3-Heptanediol, (2R,3S)-
CAS No:202831-28-5
MF:C7H16O2
MW:132.200742721558
CID:1395870
PubChem ID:13293569
Update Time:2025-04-20
2,3-Heptanediol, (2R,3S)- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Heptanediol, (2R,3S)-
- VUVZASHBYYMLRC-RQJHMYQMSA-N
- 202831-28-5
- (2R,3S)-Heptane-2,3-diol
- DTXSID90535290
-
- Inchi： 1S/C7H16O2/c1-3-4-5-7(9)6(2)8/h6-9H,3-5H2,1-2H3/t6-,7+/m1/s1
- InChI Key： VUVZASHBYYMLRC-RQJHMYQMSA-N
- SMILES： O[C@H]([C@@H](C)O)CCCC
Computed Properties
- Exact Mass: 132.11508
- Monoisotopic Mass: 132.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 63.9
- 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: 1.1
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
2,3-Heptanediol, (2R,3S)- Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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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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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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