Cas no 98574-40-4 (Pentanedioic acid, 2,4-dihydroxy-2-(hydroxymethyl)-)
98574-40-4 structure
Product Name:Pentanedioic acid, 2,4-dihydroxy-2-(hydroxymethyl)-
CAS No:98574-40-4
MF:C6H10O7
MW:194.139402866364
CID:1993292
PubChem ID:15677611
Update Time:2025-04-21
Pentanedioic acid, 2,4-dihydroxy-2-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2,4-dihydroxy-2-(hydroxymethyl)-
- 2,4-dihydroxy-2-(hydroxymethyl)pentanedioic acid
- 3-Deoxy-2-C-(hydroxymethyl)pentaric acid
- 98574-40-4
- 2-hydroxymethyl-2,4-dihydroxypentanedioic acid
- DTXSID30576728
-
- Inchi： 1S/C6H10O7/c7-2-6(13,5(11)12)1-3(8)4(9)10/h3,7-8,13H,1-2H2,(H,9,10)(H,11,12)
- InChI Key： GILDUJVRGZIQLX-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)(CO)CC(C(=O)O)O
Computed Properties
- Exact Mass: 194.04265265Da
- Monoisotopic Mass: 194.04265265Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.4
- Topological Polar Surface Area: 135?2
Pentanedioic acid, 2,4-dihydroxy-2-(hydroxymethyl)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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