Cas no 158059-97-3 (L-Threonine,3-[(5-carboxypentyl)oxy]-2-hydroxypropyl hydrogen phosphate (ester), (S)- (9CI))
![L-Threonine,3-[(5-carboxypentyl)oxy]-2-hydroxypropyl hydrogen phosphate (ester), (S)- (9CI) structure](https://ossimg.kuujia.com/scimg/158500/158059-97-3x500.png)
158059-97-3 structure
Product Name:L-Threonine,3-[(5-carboxypentyl)oxy]-2-hydroxypropyl hydrogen phosphate (ester), (S)- (9CI)
CAS No:158059-97-3
MF:C13H26NO10P
MW:387.320005893707
CID:172322
PubChem ID:190908
Update Time:2025-04-19
L-Threonine,3-[(5-carboxypentyl)oxy]-2-hydroxypropyl hydrogen phosphate (ester), (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- L-Threonine,3-[(5-carboxypentyl)oxy]-2-hydroxypropyl hydrogen phosphate (ester), (S)- (9CI)
- 6-[(2S)-3-[[(1S,2R)-1-amino-1-carboxypropan-2-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropoxy]hexanoic acid
- 1-O-(5'-Carboxypentyl)glycero-3-phosphothreonine
- 6-{[(2S)-3-{[{[(1S,2R)-1-amino-1-carboxypropan-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-hydroxypropyl]oxy}hexanoic acid
- H-Gpt-1
- 158059-97-3
- DTXSID60166358
- 1-O-(5/'-Carboxypentyl)glycero-3-phosphothreonine
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- Inchi： 1S/C13H26NO10P/c1-9(12(14)13(18)19)24-25(20,21)23-8-10(15)7-22-6-4-2-3-5-11(16)17/h9-10,12,15H,2-8,14H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t9-,10+,12+/m1/s1
- InChI Key： CYVCRELICGRMTP-SCVCMEIPSA-N
- SMILES： P(=O)(O)(OC[C@H](COCCCCCC(=O)O)O)O[C@H](C)[C@@H](C(=O)O)N
Computed Properties
- Exact Mass: 387.129
- Monoisotopic Mass: 387.129
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 25
- Rotatable Bond Count: 15
- Complexity: 460
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -4.4
- Topological Polar Surface Area: 186?2
Experimental Properties
- Density: 1.406
- Boiling Point: 649°Cat760mmHg
- Flash Point: 346.3°C
- Refractive Index: 1.521
- PSA: 195.65000
- LogP: 0.64320
L-Threonine,3-[(5-carboxypentyl)oxy]-2-hydroxypropyl hydrogen phosphate (ester), (S)- (9CI) Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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