Cas no 145094-05-9 (1,2,3-Propanetriol,1-[2-hydroxy-1-(hydroxymethyl)ethyl hydrogen phosphate] (9CI))
![1,2,3-Propanetriol,1-[2-hydroxy-1-(hydroxymethyl)ethyl hydrogen phosphate] (9CI) structure](https://ossimg.kuujia.com/scimg/145500/145094-05-9x500.png)
145094-05-9 structure
Product Name:1,2,3-Propanetriol,1-[2-hydroxy-1-(hydroxymethyl)ethyl hydrogen phosphate] (9CI)
CAS No:145094-05-9
MF:C6H15O8P
MW:246.152263879776
CID:163827
PubChem ID:134021
Update Time:2025-04-19
1,2,3-Propanetriol,1-[2-hydroxy-1-(hydroxymethyl)ethyl hydrogen phosphate] (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetriol,1-[2-hydroxy-1-(hydroxymethyl)ethyl hydrogen phosphate] (9CI)
- 1,2,3-Propanetriol, 1-(2-hydroxy-1-(hydroxymethyl)ethyl hydrogen phosphate)
- 1,3-dihydroxypropan-2-yl 2,3-dihydroxypropyl hydrogen phosphate
- Glycerol 2-phosphoglycerol
- Glycerol 2-phosphorylglycerol
- 145094-05-9
- DTXSID00932493
-
- Inchi： 1S/C6H15O8P/c7-1-5(10)4-13-15(11,12)14-6(2-8)3-9/h5-10H,1-4H2,(H,11,12)
- InChI Key： XGZWQQYEKWDDAQ-UHFFFAOYSA-N
- SMILES： P(=O)(O)(OCC(CO)O)OC(CO)CO
Computed Properties
- Exact Mass: 246.05045
- Monoisotopic Mass: 246.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.6
- Topological Polar Surface Area: 137?2
Experimental Properties
- Density: 1.611
- Boiling Point: 527.7°C at 760 mmHg
- Flash Point: 272.9°C
- Refractive Index: 1.538
- PSA: 144.52
- LogP: -2.22400
1,2,3-Propanetriol,1-[2-hydroxy-1-(hydroxymethyl)ethyl hydrogen phosphate] (9CI) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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