Cas no 57701-87-8 (1,3-Propanediol,2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)- (9CI))
![1,3-Propanediol,2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)- (9CI) structure](https://ossimg.kuujia.com/scimg/58000/57701-87-8x500.png)
57701-87-8 structure
Product Name:1,3-Propanediol,2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)- (9CI)
CAS No:57701-87-8
MF:C19H24O7
MW:364.389666557312
CID:382462
PubChem ID:187917
Update Time:2025-04-19
1,3-Propanediol,2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)- (9CI)
- 2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
- DTXSID90973299
- 1,3-Propanediol, 2-(2-hydroxy-4-(3-hydroxypropyl)phenoxy)-1-(4-hydroxy-3-methoxyphenyl)-
- 57701-87-8
- 1-(4-hydroxy-3-methoxyphenyl)-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]propane-1,3-diol
- (7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan
- CHEBI:173273
-
- Inchi： 1S/C19H24O7/c1-25-17-10-13(5-6-14(17)22)19(24)18(11-21)26-16-7-4-12(3-2-8-20)9-15(16)23/h4-7,9-10,18-24H,2-3,8,11H2,1H3
- InChI Key： KMYQEVOSRSCASE-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1O)CCCO)C(CO)C(C1C=CC(=C(C=1)OC)O)O
Computed Properties
- Exact Mass: 364.15222
- Monoisotopic Mass: 364.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 26
- Rotatable Bond Count: 9
- Complexity: 394
- 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: 1.3
- Topological Polar Surface Area: 120?2
Experimental Properties
- Density: 1.344
- Boiling Point: 651.7°Cat760mmHg
- Flash Point: 348°C
- Refractive Index: 1.625
- PSA: 119.61
1,3-Propanediol,2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)- (9CI) Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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