Cas no 30630-16-1 (Propanoic acid,2-hydroxy-3-(phosphonooxy)-, monosodium salt, (R)- (9CI))
30630-16-1 structure
Product Name:Propanoic acid,2-hydroxy-3-(phosphonooxy)-, monosodium salt, (R)- (9CI)
CAS No:30630-16-1
MF:C3H6NaO7P
MW:208.039073467255
CID:311246
PubChem ID:23688941
Update Time:2025-04-19
Propanoic acid,2-hydroxy-3-(phosphonooxy)-, monosodium salt, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid,2-hydroxy-3-(phosphonooxy)-, monosodium salt, (R)- (9CI)
- 30630-16-1
- DTXSID90952903
- SODIUM 2-HYDROXY-3-(PHOSPHONOOXY)PROPANOATE
- Propanoic acid, 2-hydroxy-3-(phosphonooxy)-, monosodium salt, (R)-
- (R)-2-Hydroxy-3-(phosphonooxy)propanoic acid monosodium salt
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- Inchi： 1S/C3H7O7P.Na/c4-2(3(5)6)1-10-11(7,8)9;/h2,4H,1H2,(H,5,6)(H2,7,8,9);/q;+1/p-1/t2-;/m1./s1
- InChI Key： WXFRSYOJFCULQG-HSHFZTNMSA-M
- SMILES： P(=O)(O)(O)OC[C@H](C(=O)[O-])O.[Na+]
Computed Properties
- Exact Mass: 207.97488
- Monoisotopic Mass: 207.97488381g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 187
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 127?2
Experimental Properties
- PSA: 127.12
Propanoic acid,2-hydroxy-3-(phosphonooxy)-, monosodium salt, (R)- (9CI) Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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